N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane

C21H38N4O2 — CID 164544295

IUPACN-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane
SMILESCC(C)C.N#C[C@H](CC1CCCNC1=O)NC(=O)CNCC1CCCCC1
InChIInChI=1S/C17H28N4O2.C4H10/c18-10-15(9-14-7-4-8-20-17(14)23)21-16(22)12-19-11-13-5-2-1-3-6-13;1-4(2)3/h13-15,19H,1-9,11-12H2,(H,20,23)(H,21,22);4H,1-3H3/t14?,15-;/m0./s1
InChIKeyYCWUQIFYXXPDCZ-SCYKNNLXSA-N
MW378.56 g/mol
LogP2.74
Rot. Bonds7

About N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane

N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane (PubChem CID 164544295) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane.

Molecular Properties

Compound NameN-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane
PubChem CID164544295
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC NameN-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane
SMILESCC(C)C.N#C[C@H](CC1CCCNC1=O)NC(=O)CNCC1CCCCC1
InChIInChI=1S/C17H28N4O2.C4H10/c18-10-15(9-14-7-4-8-20-17(14)23)21-16(22)12-19-11-13-5-2-1-3-6-13;1-4(2)3/h13-15,19H,1-9,11-12H2,(H,20,23)(H,21,22);4H,1-3H3/t14?,15-;/m0./s1
InChIKeyYCWUQIFYXXPDCZ-SCYKNNLXSA-N
XLogP2.74
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane with MolForge

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Related Compounds

N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-5-hydroxypentanamide;2-methylpropane;molecular hydrogen
CID 164544281
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide
CID 167482163
N-[2-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-2-oxoethyl]-4-methoxy-1-benzofuran-2-carboxamide
CID 164544107
(2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(cyclohexylsulfonylamino)-4-methylpentanamide
CID 164544272
N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonylamino)acetamide;2-methylpropane;molecular hydrogen
CID 164544262
N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonylamino)acetamide
CID 164544263
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 162479487
7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
CID 167504271
acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane
CID 162681991
N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-4-methyl-2-(2-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)pentanamide
CID 176586619
(2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide
CID 165022688
pyridin-2-ylmethyl N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 167213521

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane?
The IUPAC name of N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane (CID 164544295) is N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane.
What is the SMILES notation for N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane?
The canonical SMILES for N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane is CC(C)C.N#C[C@H](CC1CCCNC1=O)NC(=O)CNCC1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane?
The InChIKey is YCWUQIFYXXPDCZ-SCYKNNLXSA-N. The full InChI is InChI=1S/C17H28N4O2.C4H10/c18-10-15(9-14-7-4-8-20-17(14)23)21-16(22)12-19-11-13-5-2-1-3-6-13;1-4(2)3/h13-15,19H,1-9,11-12H2,(H,20,23)(H,21,22);4H,1-3H3/t14?,15-;/m0./s1.
What are the key properties of N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane?
N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane has a molecular weight of 378.56 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane is sourced from PubChem (CID 164544295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).