1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea

C27H33N3O2 — CID 19380993

IUPAC1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea
SMILESO=C(NC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1)NC1CCCCO1
InChIInChI=1S/C27H33N3O2/c31-26(29-25-11-5-6-16-32-25)28-19-12-14-30(15-13-19)18-27-17-22(20-7-1-3-9-23(20)27)21-8-2-4-10-24(21)27/h1-4,7-10,19,22,25H,5-6,11-18H2,(H2,28,29,31)
InChIKeyODDXWOUSMQYJOF-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.11
Rot. Bonds4

About 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea

1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea (PubChem CID 19380993) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea
PubChem CID19380993
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea
SMILESO=C(NC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1)NC1CCCCO1
InChIInChI=1S/C27H33N3O2/c31-26(29-25-11-5-6-16-32-25)28-19-12-14-30(15-13-19)18-27-17-22(20-7-1-3-9-23(20)27)21-8-2-4-10-24(21)27/h1-4,7-10,19,22,25H,5-6,11-18H2,(H2,28,29,31)
InChIKeyODDXWOUSMQYJOF-UHFFFAOYSA-N
XLogP4.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea
CID 19737306
[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 19698660
(2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide
CID 57263609
(2R)-N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-methoxypropanamide
CID 54569838
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-phenoxyacetamide
CID 19381007
N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride
CID 67753610
(2R)-N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-methoxy-2-phenylacetamide
CID 54258925
1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol
CID 67637143
1-cyclododecyl-3-(oxolan-2-yl)urea
CID 108887824
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 19381103
(4-methylphenyl)-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]methanol
CID 19698678
N-(oxan-2-yl)benzamide
CID 3717262

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea (CID 19380993) is 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea is O=C(NC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1)NC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea?
The InChIKey is ODDXWOUSMQYJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c31-26(29-25-11-5-6-16-32-25)28-19-12-14-30(15-13-19)18-27-17-22(20-7-1-3-9-23(20)27)21-8-2-4-10-24(21)27/h1-4,7-10,19,22,25H,5-6,11-18H2,(H2,28,29,31).
What are the key properties of 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea?
1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea has a molecular weight of 431.58 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 19380993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).