N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide

C19H31N3O2 — CID 122559467

IUPACN-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCCC(CN(C)C)NC(=O)N1CCC(c2ccccc2OC)CC1
InChIInChI=1S/C19H31N3O2/c1-5-16(14-21(2)3)20-19(23)22-12-10-15(11-13-22)17-8-6-7-9-18(17)24-4/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyOABCBHVDKVGWRB-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.92
Rot. Bonds6

About N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide

N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 122559467) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID122559467
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCCC(CN(C)C)NC(=O)N1CCC(c2ccccc2OC)CC1
InChIInChI=1S/C19H31N3O2/c1-5-16(14-21(2)3)20-19(23)22-12-10-15(11-13-22)17-8-6-7-9-18(17)24-4/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyOABCBHVDKVGWRB-UHFFFAOYSA-N
XLogP2.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 126441610
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 3746837
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone
CID 119073542
ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 60547124
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 121496789
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide (CID 122559467) is N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide is CCC(CN(C)C)NC(=O)N1CCC(c2ccccc2OC)CC1.
What is the InChIKey of N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is OABCBHVDKVGWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-16(14-21(2)3)20-19(23)22-12-10-15(11-13-22)17-8-6-7-9-18(17)24-4/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23).
What are the key properties of N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 122559467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).