4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide

C20H26N4O — CID 71924374

IUPAC4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(N(C)c2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C20H26N4O/c1-16(17-8-12-21-13-9-17)22-20(25)24-14-10-19(11-15-24)23(2)18-6-4-3-5-7-18/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3,(H,22,25)
InChIKeyFRAFFYORAJAOPU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.45
Rot. Bonds4

About 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide

4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide (PubChem CID 71924374) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide
PubChem CID71924374
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(N(C)c2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C20H26N4O/c1-16(17-8-12-21-13-9-17)22-20(25)24-14-10-19(11-15-24)23(2)18-6-4-3-5-7-18/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3,(H,22,25)
InChIKeyFRAFFYORAJAOPU-UHFFFAOYSA-N
XLogP3.45
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide
CID 71977269
4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 99596800
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(1-phenylethyl)piperidine-1-carboxamide
CID 19711184
N,N-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxamide
CID 83206240
N,N-dimethyl-4-(1-phenylethylamino)piperidine-1-carboxamide
CID 83205698
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
3-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 96520038

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide (CID 71924374) is 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide is CC(NC(=O)N1CCC(N(C)c2ccccc2)CC1)c1ccncc1.
What is the InChIKey of 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide?
The InChIKey is FRAFFYORAJAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(17-8-12-21-13-9-17)22-20(25)24-14-10-19(11-15-24)23(2)18-6-4-3-5-7-18/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3,(H,22,25).
What are the key properties of 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide?
4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71924374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).