N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide

C18H33N3O2 — CID 95153800

IUPACN-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide
SMILESCC[C@H](C)[C@@H](C)N(CC(=O)NC1CCN(C(C)=O)CC1)C1CC1
InChIInChI=1S/C18H33N3O2/c1-5-13(2)14(3)21(17-6-7-17)12-18(23)19-16-8-10-20(11-9-16)15(4)22/h13-14,16-17H,5-12H2,1-4H3,(H,19,23)/t13-,14+/m0/s1
InChIKeyKPSUZVMICQKBSN-UONOGXRCSA-N
MW323.48 g/mol
LogP2.01
Rot. Bonds7

About N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide

N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide (PubChem CID 95153800) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide
PubChem CID95153800
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide
SMILESCC[C@H](C)[C@@H](C)N(CC(=O)NC1CCN(C(C)=O)CC1)C1CC1
InChIInChI=1S/C18H33N3O2/c1-5-13(2)14(3)21(17-6-7-17)12-18(23)19-16-8-10-20(11-9-16)15(4)22/h13-14,16-17H,5-12H2,1-4H3,(H,19,23)/t13-,14+/m0/s1
InChIKeyKPSUZVMICQKBSN-UONOGXRCSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide
CID 60523581
N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 78896957
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659
N,N-diethyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide
CID 108562550
N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide
CID 113314985
N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide
CID 51107106
N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
CID 82012223
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
2-[(1-acetylpiperidin-4-yl)amino]-N-cyclopropylacetamide
CID 43231891

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide (CID 95153800) is N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide is CC[C@H](C)[C@@H](C)N(CC(=O)NC1CCN(C(C)=O)CC1)C1CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide?
The InChIKey is KPSUZVMICQKBSN-UONOGXRCSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-5-13(2)14(3)21(17-6-7-17)12-18(23)19-16-8-10-20(11-9-16)15(4)22/h13-14,16-17H,5-12H2,1-4H3,(H,19,23)/t13-,14+/m0/s1.
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide?
N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide has a molecular weight of 323.48 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide is sourced from PubChem (CID 95153800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).