N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide

C20H31N3O3 — CID 125441834

IUPACN-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)CCNC(=O)N1CCC([C@H](O)CCc2ccccc2)CC1
InChIInChI=1S/C20H31N3O3/c1-22(2)19(25)10-13-21-20(26)23-14-11-17(12-15-23)18(24)9-8-16-6-4-3-5-7-16/h3-7,17-18,24H,8-15H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyONSCNGQVVDNQRM-GOSISDBHSA-N
MW361.49 g/mol
LogP1.88
Rot. Bonds7

About N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide (PubChem CID 125441834) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
PubChem CID125441834
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)CCNC(=O)N1CCC([C@H](O)CCc2ccccc2)CC1
InChIInChI=1S/C20H31N3O3/c1-22(2)19(25)10-13-21-20(26)23-14-11-17(12-15-23)18(24)9-8-16-6-4-3-5-7-16/h3-7,17-18,24H,8-15H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyONSCNGQVVDNQRM-GOSISDBHSA-N
XLogP1.88
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
4-(1-hydroxy-3-phenylpropyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 119058706
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 126423568
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 18173951
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 131901997
4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide
CID 126428645
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide
CID 95309425
N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide
CID 122557157

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide (CID 125441834) is N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide is CN(C)C(=O)CCNC(=O)N1CCC([C@H](O)CCc2ccccc2)CC1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
The InChIKey is ONSCNGQVVDNQRM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-22(2)19(25)10-13-21-20(26)23-14-11-17(12-15-23)18(24)9-8-16-6-4-3-5-7-16/h3-7,17-18,24H,8-15H2,1-2H3,(H,21,26)/t18-/m1/s1.
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 125441834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).