3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate

C21H26N2O3 — CID 11035624

IUPAC3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)OCCCN1CCCCC1
InChIInChI=1S/C21H26N2O3/c24-21(25-17-7-16-23-14-5-2-6-15-23)22-18-10-12-20(13-11-18)26-19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-17H2,(H,22,24)
InChIKeyKAUBXMGXTBANBP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.90
Rot. Bonds7

About 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate

3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate (PubChem CID 11035624) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate
PubChem CID11035624
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)OCCCN1CCCCC1
InChIInChI=1S/C21H26N2O3/c24-21(25-17-7-16-23-14-5-2-6-15-23)22-18-10-12-20(13-11-18)26-19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-17H2,(H,22,24)
InChIKeyKAUBXMGXTBANBP-UHFFFAOYSA-N
XLogP4.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate 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

2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
1-(4-phenoxyphenyl)-3-[(3S)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-yl]urea
CID 44536683
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658483
2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
CID 100690251
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
CID 45048307
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100679278

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate?
The IUPAC name of 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate (CID 11035624) is 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate.
What is the SMILES notation for 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate?
The canonical SMILES for 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate is O=C(Nc1ccc(Oc2ccccc2)cc1)OCCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate?
The InChIKey is KAUBXMGXTBANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-21(25-17-7-16-23-14-5-2-6-15-23)22-18-10-12-20(13-11-18)26-19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-17H2,(H,22,24).
What are the key properties of 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate?
3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate has a molecular weight of 354.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate is sourced from PubChem (CID 11035624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).