(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C24H32N2O2 — CID 9430598

IUPAC(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-19(24(27)25-15-12-20-8-10-23(28-2)11-9-20)26-16-13-22(14-17-26)18-21-6-4-3-5-7-21/h3-11,19,22H,12-18H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyRRUDZNIPHJWVLY-IBGZPJMESA-N
MW380.53 g/mol
LogP3.70
Rot. Bonds8

About (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 9430598) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID9430598
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-19(24(27)25-15-12-20-8-10-23(28-2)11-9-20)26-16-13-22(14-17-26)18-21-6-4-3-5-7-21/h3-11,19,22H,12-18H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyRRUDZNIPHJWVLY-IBGZPJMESA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091693
(3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51927756
(3S)-1-[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51927758
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 55432612
1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 9443521
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46650271
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242573
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 56802864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 9430598) is (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is RRUDZNIPHJWVLY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19(24(27)25-15-12-20-8-10-23(28-2)11-9-20)26-16-13-22(14-17-26)18-21-6-4-3-5-7-21/h3-11,19,22H,12-18H2,1-2H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 380.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 9430598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).