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

C16H26N4O — CID 95178018

IUPAC1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
SMILESCC1CCN([C@@H](C)CNC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C16H26N4O/c1-13-6-9-20(10-7-13)14(2)11-18-16(21)19-12-15-5-3-4-8-17-15/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyFBGQLPGQPABGGS-AWEZNQCLSA-N
MW290.41 g/mol
LogP2.00
Rot. Bonds5

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

1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 95178018) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID95178018
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
SMILESCC1CCN([C@@H](C)CNC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C16H26N4O/c1-13-6-9-20(10-7-13)14(2)11-18-16(21)19-12-15-5-3-4-8-17-15/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyFBGQLPGQPABGGS-AWEZNQCLSA-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

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Related Compounds

1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50771156
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
3-[(pyridin-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 81073177
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
CID 126423883
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969967
1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 110910267
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111505364
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111338291
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea (CID 95178018) is 1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea is CC1CCN([C@@H](C)CNC(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is FBGQLPGQPABGGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-6-9-20(10-7-13)14(2)11-18-16(21)19-12-15-5-3-4-8-17-15/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H2,18,19,21)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea?
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-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-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 95178018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).