1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide

C20H35N5O3 — CID 131939963

IUPAC1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)C1
InChIInChI=1S/C20H35N5O3/c21-18(26)14-24-10-4-5-15(13-24)19(27)22-17-8-11-25(12-9-17)20(28)23-16-6-2-1-3-7-16/h15-17H,1-14H2,(H2,21,26)(H,22,27)(H,23,28)
InChIKeyGVBVLSBJTJXMEC-UHFFFAOYSA-N
MW393.53 g/mol
LogP0.81
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 131939963) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID131939963
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC Name1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)C1
InChIInChI=1S/C20H35N5O3/c21-18(26)14-24-10-4-5-15(13-24)19(27)22-17-8-11-25(12-9-17)20(28)23-16-6-2-1-3-7-16/h15-17H,1-14H2,(H2,21,26)(H,22,27)(H,23,28)
InChIKeyGVBVLSBJTJXMEC-UHFFFAOYSA-N
XLogP0.81
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
N-[1-[2-(cyclopentylamino)-2-oxoethyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171335040
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022
4-(cyclohexanecarbonylamino)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 86862881
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide
CID 94216432
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920121

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide (CID 131939963) is 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide is NC(=O)CN1CCCC(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is GVBVLSBJTJXMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3/c21-18(26)14-24-10-4-5-15(13-24)19(27)22-17-8-11-25(12-9-17)20(28)23-16-6-2-1-3-7-16/h15-17H,1-14H2,(H2,21,26)(H,22,27)(H,23,28).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 131939963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).