1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea

C16H26N4O — CID 60598083

IUPAC1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
SMILESCC1CCN(C(C)CNC(=O)NCc2ccncc2)CC1
InChIInChI=1S/C16H26N4O/c1-13-5-9-20(10-6-13)14(2)11-18-16(21)19-12-15-3-7-17-8-4-15/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H2,18,19,21)
InChIKeyGNAIKJSWMDXSNF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.00
Rot. Bonds5

About 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea

1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 60598083) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID60598083
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
SMILESCC1CCN(C(C)CNC(=O)NCc2ccncc2)CC1
InChIInChI=1S/C16H26N4O/c1-13-5-9-20(10-6-13)14(2)11-18-16(21)19-12-15-3-7-17-8-4-15/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H2,18,19,21)
InChIKeyGNAIKJSWMDXSNF-UHFFFAOYSA-N
XLogP2.00
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea with MolForge

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Related Compounds

1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 95178018
N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 60597960
1-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 95570484
1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 56813976
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111338291
1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 110910267
methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate
CID 95154757
1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109044877

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea (CID 60598083) is 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea is CC1CCN(C(C)CNC(=O)NCc2ccncc2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is GNAIKJSWMDXSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-5-9-20(10-6-13)14(2)11-18-16(21)19-12-15-3-7-17-8-4-15/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea?
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 60598083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).