[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane

C18H28N4O2 — CID 69252851

IUPAC[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane
SMILESC1CC1.O=C(O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1
InChIInChI=1S/C15H22N4O2.C3H6/c20-15(21)17-14-11-13(5-6-16-14)19-9-7-18(8-10-19)12-3-1-2-4-12;1-2-3-1/h5-6,11-12H,1-4,7-10H2,(H,16,17)(H,20,21);1-3H2
InChIKeyPUYSBIYOUCMUHE-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.41
Rot. Bonds3

About [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane

[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane (PubChem CID 69252851) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane.

Molecular Properties

Compound Name[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane
PubChem CID69252851
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane
SMILESC1CC1.O=C(O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1
InChIInChI=1S/C15H22N4O2.C3H6/c20-15(21)17-14-11-13(5-6-16-14)19-9-7-18(8-10-19)12-3-1-2-4-12;1-2-3-1/h5-6,11-12H,1-4,7-10H2,(H,16,17)(H,20,21);1-3H2
InChIKeyPUYSBIYOUCMUHE-UHFFFAOYSA-N
XLogP3.41
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 69252651
N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide
CID 11638272
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 21274449
4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid
CID 62369937
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
1-cycloheptyl-4-phenylpiperazine
CID 2846720
1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652956
N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 87632091
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 124749236
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757
4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
CID 20655195

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane?
The IUPAC name of [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane (CID 69252851) is [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane.
What is the SMILES notation for [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane?
The canonical SMILES for [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane is C1CC1.O=C(O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1.
What is the InChIKey of [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane?
The InChIKey is PUYSBIYOUCMUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.C3H6/c20-15(21)17-14-11-13(5-6-16-14)19-9-7-18(8-10-19)12-3-1-2-4-12;1-2-3-1/h5-6,11-12H,1-4,7-10H2,(H,16,17)(H,20,21);1-3H2.
What are the key properties of [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane?
[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane has a molecular weight of 332.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane is sourced from PubChem (CID 69252851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).