1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea

C22H29N5O — CID 134799472

IUPAC1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea
SMILESO=C(NC1CCCC1)NC1CCCN(Cc2ccc(-c3cncnc3)cc2)C1
InChIInChI=1S/C22H29N5O/c28-22(25-20-4-1-2-5-20)26-21-6-3-11-27(15-21)14-17-7-9-18(10-8-17)19-12-23-16-24-13-19/h7-10,12-13,16,20-21H,1-6,11,14-15H2,(H2,25,26,28)
InChIKeyYPTGWMHMQULDIE-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.35
Rot. Bonds5

About 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea

1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea (PubChem CID 134799472) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea
PubChem CID134799472
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea
SMILESO=C(NC1CCCC1)NC1CCCN(Cc2ccc(-c3cncnc3)cc2)C1
InChIInChI=1S/C22H29N5O/c28-22(25-20-4-1-2-5-20)26-21-6-3-11-27(15-21)14-17-7-9-18(10-8-17)19-12-23-16-24-13-19/h7-10,12-13,16,20-21H,1-6,11,14-15H2,(H2,25,26,28)
InChIKeyYPTGWMHMQULDIE-UHFFFAOYSA-N
XLogP3.35
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide
CID 134803744
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
CID 134801546
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea (CID 134799472) is 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea is O=C(NC1CCCC1)NC1CCCN(Cc2ccc(-c3cncnc3)cc2)C1.
What is the InChIKey of 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea?
The InChIKey is YPTGWMHMQULDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(25-20-4-1-2-5-20)26-21-6-3-11-27(15-21)14-17-7-9-18(10-8-17)19-12-23-16-24-13-19/h7-10,12-13,16,20-21H,1-6,11,14-15H2,(H2,25,26,28).
What are the key properties of 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea?
1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea has a molecular weight of 379.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea is sourced from PubChem (CID 134799472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).