(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide

C19H29N3O3 — CID 95309425

IUPAC(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide
SMILESCCO[C@H]1CCCN(C(=O)NCCC(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-3-25-17-10-7-13-22(15-17)19(24)20-12-11-18(23)21(2)14-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyFCKPVPGVBYBSRZ-KRWDZBQOSA-N
MW347.46 g/mol
LogP2.25
Rot. Bonds7

About (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide

(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide (PubChem CID 95309425) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide
PubChem CID95309425
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide
SMILESCCO[C@H]1CCCN(C(=O)NCCC(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-3-25-17-10-7-13-22(15-17)19(24)20-12-11-18(23)21(2)14-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyFCKPVPGVBYBSRZ-KRWDZBQOSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-methylpropanamide
CID 111959325
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
CID 86881037
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65221372
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide
CID 47755944
(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107839176
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903
3-[(2S)-1-[4-[benzyl(methyl)amino]-4-oxobutanoyl]pyrrolidin-2-yl]-3-oxopropanoic acid
CID 15660947
N-benzyl-3-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-methylpropanamide
CID 111919433
N-benzyl-N-methyl-3-[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111915252
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide (CID 95309425) is (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide is CCO[C@H]1CCCN(C(=O)NCCC(=O)N(C)Cc2ccccc2)C1.
What is the InChIKey of (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide?
The InChIKey is FCKPVPGVBYBSRZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-17-10-7-13-22(15-17)19(24)20-12-11-18(23)21(2)14-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,20,24)/t17-/m0/s1.
What are the key properties of (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide?
(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 95309425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).