4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide

C19H30N6O3 — CID 10362981

IUPAC4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC(C(=O)N2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C19H30N6O3/c20-12-16-2-1-7-25(16)17(26)13-22-15-5-3-14(4-6-15)18(27)23-8-10-24(11-9-23)19(21)28/h14-16,22H,1-11,13H2,(H2,21,28)/t14?,15?,16-/m0/s1
InChIKeyRMLOJCZIRNSTFX-GPANFISMSA-N
MW390.49 g/mol
LogP-0.13
Rot. Bonds4

About 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide

4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide (PubChem CID 10362981) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide
PubChem CID10362981
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC Name4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC(C(=O)N2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C19H30N6O3/c20-12-16-2-1-7-25(16)17(26)13-22-15-5-3-14(4-6-15)18(27)23-8-10-24(11-9-23)19(21)28/h14-16,22H,1-11,13H2,(H2,21,28)/t14?,15?,16-/m0/s1
InChIKeyRMLOJCZIRNSTFX-GPANFISMSA-N
XLogP-0.13
TPSA122.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide
CID 10090880
(2S)-1-[2-[[4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 69157346
2-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]-methylamino]acetic acid
CID 20754679
(2S)-1-[2-(spiro[3.5]nonan-7-ylamino)acetyl]pyrrolidine-2-carbonitrile
CID 69315297
(2S)-1-[2-[[4-[4-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 69157915
4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 70020534
4-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyrimidine-5-carbonitrile
CID 10132772
5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 140558193
(2S)-1-[2-[[2-(pyrrolidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 68777223
5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride
CID 140558198
trans-(1S,3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
CID 68829649
N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzenesulfonamide;hydrochloride
CID 70120599

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide (CID 10362981) is 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide is N#C[C@@H]1CCCN1C(=O)CNC1CCC(C(=O)N2CCN(C(N)=O)CC2)CC1.
What is the InChIKey of 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide?
The InChIKey is RMLOJCZIRNSTFX-GPANFISMSA-N. The full InChI is InChI=1S/C19H30N6O3/c20-12-16-2-1-7-25(16)17(26)13-22-15-5-3-14(4-6-15)18(27)23-8-10-24(11-9-23)19(21)28/h14-16,22H,1-11,13H2,(H2,21,28)/t14?,15?,16-/m0/s1.
What are the key properties of 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide?
4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 10362981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).