3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

C24H29N5O3 — CID 42853928

IUPAC3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H29N5O3/c1-16-6-8-18(9-7-16)24(32)29-14-10-19(11-15-29)27-23(31)20-21(26-13-12-25-20)28-22(30)17-4-2-3-5-17/h6-9,12-13,17,19H,2-5,10-11,14-15H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyBGAUKUVCQSKDKX-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.95
Rot. Bonds5

About 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 42853928) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID42853928
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H29N5O3/c1-16-6-8-18(9-7-16)24(32)29-14-10-19(11-15-29)27-23(31)20-21(26-13-12-25-20)28-22(30)17-4-2-3-5-17/h6-9,12-13,17,19H,2-5,10-11,14-15H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyBGAUKUVCQSKDKX-UHFFFAOYSA-N
XLogP2.95
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166495
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891
3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 91634641
3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866687
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866717
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 42866759

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 42853928) is 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is BGAUKUVCQSKDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-6-8-18(9-7-16)24(32)29-14-10-19(11-15-29)27-23(31)20-21(26-13-12-25-20)28-22(30)17-4-2-3-5-17/h6-9,12-13,17,19H,2-5,10-11,14-15H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 42853928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).