3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide

C14H26N4O2 — CID 127287267

IUPAC3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide
SMILESCC(C)N1CCCC(CNC(=O)N2CCNC(=O)C2)C1
InChIInChI=1S/C14H26N4O2/c1-11(2)17-6-3-4-12(9-17)8-16-14(20)18-7-5-15-13(19)10-18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyRYMAZRASWQQEAU-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.25
Rot. Bonds3

About 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide

3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 127287267) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide
PubChem CID127287267
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide
SMILESCC(C)N1CCCC(CNC(=O)N2CCNC(=O)C2)C1
InChIInChI=1S/C14H26N4O2/c1-11(2)17-6-3-4-12(9-17)8-16-14(20)18-7-5-15-13(19)10-18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyRYMAZRASWQQEAU-UHFFFAOYSA-N
XLogP0.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
CID 121494905
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 122568839
(3S)-1-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81118903
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620
4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 120645530
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide (CID 127287267) is 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide is CC(C)N1CCCC(CNC(=O)N2CCNC(=O)C2)C1.
What is the InChIKey of 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is RYMAZRASWQQEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(2)17-6-3-4-12(9-17)8-16-14(20)18-7-5-15-13(19)10-18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide?
3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 127287267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).