1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea

C18H31N5O — CID 95211564

IUPAC1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCc1n[nH]c(C)c1CN1CCC[C@H](CNC(=O)NC2CCCC2)C1
InChIInChI=1S/C18H31N5O/c1-13-17(14(2)22-21-13)12-23-9-5-6-15(11-23)10-19-18(24)20-16-7-3-4-8-16/h15-16H,3-12H2,1-2H3,(H,21,22)(H2,19,20,24)/t15-/m1/s1
InChIKeyNWANSMRKKGNOLL-OAHLLOKOSA-N
MW333.48 g/mol
LogP2.48
Rot. Bonds5

About 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea

1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea (PubChem CID 95211564) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea
PubChem CID95211564
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCc1n[nH]c(C)c1CN1CCC[C@H](CNC(=O)NC2CCCC2)C1
InChIInChI=1S/C18H31N5O/c1-13-17(14(2)22-21-13)12-23-9-5-6-15(11-23)10-19-18(24)20-16-7-3-4-8-16/h15-16H,3-12H2,1-2H3,(H,21,22)(H2,19,20,24)/t15-/m1/s1
InChIKeyNWANSMRKKGNOLL-OAHLLOKOSA-N
XLogP2.48
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea (CID 95211564) is 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea is Cc1n[nH]c(C)c1CN1CCC[C@H](CNC(=O)NC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea?
The InChIKey is NWANSMRKKGNOLL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N5O/c1-13-17(14(2)22-21-13)12-23-9-5-6-15(11-23)10-19-18(24)20-16-7-3-4-8-16/h15-16H,3-12H2,1-2H3,(H,21,22)(H2,19,20,24)/t15-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea?
1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 95211564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).