N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide

C22H40N4O2 — CID 95065264

IUPACN-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide
SMILESC[C@H](CCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1)N1CCCC1
InChIInChI=1S/C22H40N4O2/c1-18(25-13-5-6-14-25)9-12-23-21(27)17-19-10-15-26(16-11-19)22(28)24-20-7-3-2-4-8-20/h18-20H,2-17H2,1H3,(H,23,27)(H,24,28)/t18-/m1/s1
InChIKeyXCZRYGIHEYTULS-GOSISDBHSA-N
MW392.59 g/mol
LogP3.12
Rot. Bonds7

About N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide (PubChem CID 95065264) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide
PubChem CID95065264
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC NameN-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide
SMILESC[C@H](CCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1)N1CCCC1
InChIInChI=1S/C22H40N4O2/c1-18(25-13-5-6-14-25)9-12-23-21(27)17-19-10-15-26(16-11-19)22(28)24-20-7-3-2-4-8-20/h18-20H,2-17H2,1H3,(H,23,27)(H,24,28)/t18-/m1/s1
InChIKeyXCZRYGIHEYTULS-GOSISDBHSA-N
XLogP3.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide (CID 95065264) is N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide is C[C@H](CCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1)N1CCCC1.
What is the InChIKey of N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide?
The InChIKey is XCZRYGIHEYTULS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-18(25-13-5-6-14-25)9-12-23-21(27)17-19-10-15-26(16-11-19)22(28)24-20-7-3-2-4-8-20/h18-20H,2-17H2,1H3,(H,23,27)(H,24,28)/t18-/m1/s1.
What are the key properties of N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide has a molecular weight of 392.59 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95065264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).