N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide

C16H26N2O2 — CID 122136640

IUPACN-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCCC(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)N1
InChIInChI=1S/C16H26N2O2/c19-15-8-4-7-14(18-15)16(20)17-10-12-9-13(12)11-5-2-1-3-6-11/h11-14H,1-10H2,(H,17,20)(H,18,19)/t12-,13-,14?/m0/s1
InChIKeyIYUYLHGSQZALQD-RFHHWMCGSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds4

About N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide

N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide (PubChem CID 122136640) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide
PubChem CID122136640
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCCC(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)N1
InChIInChI=1S/C16H26N2O2/c19-15-8-4-7-14(18-15)16(20)17-10-12-9-13(12)11-5-2-1-3-6-11/h11-14H,1-10H2,(H,17,20)(H,18,19)/t12-,13-,14?/m0/s1
InChIKeyIYUYLHGSQZALQD-RFHHWMCGSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide (CID 122136640) is N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide is O=C1CCCC(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)N1.
What is the InChIKey of N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is IYUYLHGSQZALQD-RFHHWMCGSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-15-8-4-7-14(18-15)16(20)17-10-12-9-13(12)11-5-2-1-3-6-11/h11-14H,1-10H2,(H,17,20)(H,18,19)/t12-,13-,14?/m0/s1.
What are the key properties of N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide?
N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 122136640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).