1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea

C11H23N3O — CID 43523388

IUPAC1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)C1CCCNC1
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(15)14-9(3)10-5-4-6-12-7-10/h8-10,12H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyTZSXXPIQMPZRKQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.08
Rot. Bonds3

About 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea

1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea (PubChem CID 43523388) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
PubChem CID43523388
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)C1CCCNC1
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(15)14-9(3)10-5-4-6-12-7-10/h8-10,12H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyTZSXXPIQMPZRKQ-UHFFFAOYSA-N
XLogP1.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[(1S)-1-[(3S)-piperidin-3-yl]ethyl]urea
CID 93096345
1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
1-butyl-3-(1-piperidin-3-ylethyl)urea
CID 43523386
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
2-cyclobutyl-N-(1-piperidin-3-ylethyl)acetamide
CID 103806063
N-(1-piperidin-3-ylethyl)piperidine-1-carboxamide
CID 79155447
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393
2-cycloheptyl-N-(1-piperidin-3-ylethyl)acetamide
CID 115736930
1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea
CID 62047244
N-(1-piperidin-3-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 119260228

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea (CID 43523388) is 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea is CC(C)NC(=O)NC(C)C1CCCNC1.
What is the InChIKey of 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea?
The InChIKey is TZSXXPIQMPZRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)13-11(15)14-9(3)10-5-4-6-12-7-10/h8-10,12H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea?
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea has a molecular weight of 213.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea is sourced from PubChem (CID 43523388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).