3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide

C17H17N5O2 — CID 146382207

IUPAC3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nc(C(=O)N2CCNCC2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C17H17N5O2/c18-16(23)15-14-11(10-3-1-2-4-12(10)20-14)9-13(21-15)17(24)22-7-5-19-6-8-22/h1-4,9,19-20H,5-8H2,(H2,18,23)
InChIKeyVSMCRDZVGIKUHZ-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.86
Rot. Bonds2

About 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide

3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 146382207) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID146382207
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nc(C(=O)N2CCNCC2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C17H17N5O2/c18-16(23)15-14-11(10-3-1-2-4-12(10)20-14)9-13(21-15)17(24)22-7-5-19-6-8-22/h1-4,9,19-20H,5-8H2,(H2,18,23)
InChIKeyVSMCRDZVGIKUHZ-UHFFFAOYSA-N
XLogP0.86
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid
CID 6217142
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 156786469
(6-amino-2-pyridinyl)-piperazin-1-ylmethanone
CID 82507133
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877
methyl 1-(diethylcarbamoyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 146382280
piperazin-1-yl(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 71778231
1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 10541746
6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 82509419
6-(1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 61402777
1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 6235718
5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
CID 175890901

Frequently Asked Questions

What is the IUPAC name of 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide (CID 146382207) is 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide is NC(=O)c1nc(C(=O)N2CCNCC2)cc2c1[nH]c1ccccc12.
What is the InChIKey of 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is VSMCRDZVGIKUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c18-16(23)15-14-11(10-3-1-2-4-12(10)20-14)9-13(21-15)17(24)22-7-5-19-6-8-22/h1-4,9,19-20H,5-8H2,(H2,18,23).
What are the key properties of 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 146382207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).