(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide

C19H29N3O3 — CID 95284860

IUPAC(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-25-13-11-20-18(23)9-10-21-19(24)17-8-5-12-22(15-17)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyVTJGZFOTVFWZNT-KRWDZBQOSA-N
MW347.46 g/mol
LogP1.17
Rot. Bonds9

About (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide

(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide (PubChem CID 95284860) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide
PubChem CID95284860
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-25-13-11-20-18(23)9-10-21-19(24)17-8-5-12-22(15-17)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyVTJGZFOTVFWZNT-KRWDZBQOSA-N
XLogP1.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 43918890
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
CID 95186738
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95115844
1-[(4-chlorophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43920628

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide (CID 95284860) is (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide is COCCNC(=O)CCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide?
The InChIKey is VTJGZFOTVFWZNT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-25-13-11-20-18(23)9-10-21-19(24)17-8-5-12-22(15-17)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide?
(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide is sourced from PubChem (CID 95284860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).