1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

C19H30N4O2 — CID 111422950

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCC1CN(Cc2ccccn2)CCC1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C19H30N4O2/c1-15-12-23(13-16-6-2-5-10-20-16)11-7-17(15)22-18(24)21-14-19(25)8-3-4-9-19/h2,5-6,10,15,17,25H,3-4,7-9,11-14H2,1H3,(H2,21,22,24)
InChIKeyBXERSMFPCYITKY-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.90
Rot. Bonds5

About 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (PubChem CID 111422950) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
PubChem CID111422950
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCC1CN(Cc2ccccn2)CCC1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C19H30N4O2/c1-15-12-23(13-16-6-2-5-10-20-16)11-7-17(15)22-18(24)21-14-19(25)8-3-4-9-19/h2,5-6,10,15,17,25H,3-4,7-9,11-14H2,1H3,(H2,21,22,24)
InChIKeyBXERSMFPCYITKY-UHFFFAOYSA-N
XLogP1.90
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate
CID 91653500
(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 125146131
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide
CID 91832262
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
N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86962289
1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
CID 47125969
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (CID 111422950) is 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is CC1CN(Cc2ccccn2)CCC1NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The InChIKey is BXERSMFPCYITKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-12-23(13-16-6-2-5-10-20-16)11-7-17(15)22-18(24)21-14-19(25)8-3-4-9-19/h2,5-6,10,15,17,25H,3-4,7-9,11-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea has a molecular weight of 346.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 111422950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).