1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea

C19H24N4O — CID 95629029

IUPAC1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
SMILESC[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H24N4O/c1-15-13-23(14-17-9-5-6-11-20-17)12-10-18(15)22-19(24)21-16-7-3-2-4-8-16/h2-9,11,15,18H,10,12-14H2,1H3,(H2,21,22,24)/t15-,18-/m0/s1
InChIKeyPOWYUWMKRVMWIP-YJBOKZPZSA-N
MW324.43 g/mol
LogP3.11
Rot. Bonds4

About 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea

1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea (PubChem CID 95629029) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
PubChem CID95629029
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
SMILESC[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H24N4O/c1-15-13-23(14-17-9-5-6-11-20-17)12-10-18(15)22-19(24)21-16-7-3-2-4-8-16/h2-9,11,15,18H,10,12-14H2,1H3,(H2,21,22,24)/t15-,18-/m0/s1
InChIKeyPOWYUWMKRVMWIP-YJBOKZPZSA-N
XLogP3.11
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111422950
(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 125146131
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
(2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
CID 124883990
methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate
CID 91653500
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
1-[2-fluoro-6-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 124866036
1-[2-fluoro-6-[[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 96503542
N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86962289
1-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 129429082
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 129429081

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea (CID 95629029) is 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea is C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea?
The InChIKey is POWYUWMKRVMWIP-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-13-23(14-17-9-5-6-11-20-17)12-10-18(15)22-19(24)21-16-7-3-2-4-8-16/h2-9,11,15,18H,10,12-14H2,1H3,(H2,21,22,24)/t15-,18-/m0/s1.
What are the key properties of 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea?
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea has a molecular weight of 324.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 95629029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).