(3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide

C16H29N3O2 — CID 11912550

IUPAC(3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NC1CC1
InChIInChI=1S/C16H29N3O2/c1-4-12-10-19(16(21)17-11(2)3)8-7-13(12)9-15(20)18-14-5-6-14/h11-14H,4-10H2,1-3H3,(H,17,21)(H,18,20)/t12-,13-/m0/s1
InChIKeyVSKVSEYJVDHBDK-STQMWFEESA-N
MW295.43 g/mol
LogP2.12
Rot. Bonds5

About (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide

(3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 11912550) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID11912550
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NC1CC1
InChIInChI=1S/C16H29N3O2/c1-4-12-10-19(16(21)17-11(2)3)8-7-13(12)9-15(20)18-14-5-6-14/h11-14H,4-10H2,1-3H3,(H,17,21)(H,18,20)/t12-,13-/m0/s1
InChIKeyVSKVSEYJVDHBDK-STQMWFEESA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 3222855
3-(1-butyryl-4-piperidinyl)-N-cyclopropylpropanamide
CID 24816634
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
(4aS,9aR)-7-cyclohexyl-N-ethyl-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 26742714
N-[2-(cyclopentanecarbonylamino)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145133
(4aS,9aR)-7-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-ethyl-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 26742840
N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide
CID 7673420
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-propan-2-ylacetamide
CID 11911992
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide
CID 11912219
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide
CID 11912296
(3R,4S)-4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 11912554
N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide
CID 11941260

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide (CID 11912550) is (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide is CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NC1CC1.
What is the InChIKey of (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is VSKVSEYJVDHBDK-STQMWFEESA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-12-10-19(16(21)17-11(2)3)8-7-13(12)9-15(20)18-14-5-6-14/h11-14H,4-10H2,1-3H3,(H,17,21)(H,18,20)/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide?
(3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 11912550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).