N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide

C27H27N5O — CID 22909477

IUPACN-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide
SMILESN#Cc1cccc2[nH]cc(C3CCN(CCCNC(=O)c4ccnc5ccccc45)CC3)c12
InChIInChI=1S/C27H27N5O/c28-17-20-5-3-8-25-26(20)23(18-31-25)19-10-15-32(16-11-19)14-4-12-30-27(33)22-9-13-29-24-7-2-1-6-21(22)24/h1-3,5-9,13,18-19,31H,4,10-12,14-16H2,(H,30,33)
InChIKeyOQBUVYARMNYZTH-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.59
Rot. Bonds6

About N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide

N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide (PubChem CID 22909477) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide
PubChem CID22909477
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC NameN-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide
SMILESN#Cc1cccc2[nH]cc(C3CCN(CCCNC(=O)c4ccnc5ccccc45)CC3)c12
InChIInChI=1S/C27H27N5O/c28-17-20-5-3-8-25-26(20)23(18-31-25)19-10-15-32(16-11-19)14-4-12-30-27(33)22-9-13-29-24-7-2-1-6-21(22)24/h1-3,5-9,13,18-19,31H,4,10-12,14-16H2,(H,30,33)
InChIKeyOQBUVYARMNYZTH-UHFFFAOYSA-N
XLogP4.59
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide
CID 22909452
3-(1-ethylpiperidin-4-yl)-1H-indole-4-carbonitrile;oxalic acid
CID 18797394
N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide
CID 22909497
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
N-[3-[4-(6-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide
CID 22909402
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595400
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide
CID 44533348
2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 134036774
tert-butyl N-[3-[4-(2-cyanophenyl)piperidin-1-yl]propyl]carbamate;2-(1-butylpiperidin-4-yl)benzonitrile;hydrochloride
CID 157151362

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide?
The IUPAC name of N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide (CID 22909477) is N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide is N#Cc1cccc2[nH]cc(C3CCN(CCCNC(=O)c4ccnc5ccccc45)CC3)c12.
What is the InChIKey of N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide?
The InChIKey is OQBUVYARMNYZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c28-17-20-5-3-8-25-26(20)23(18-31-25)19-10-15-32(16-11-19)14-4-12-30-27(33)22-9-13-29-24-7-2-1-6-21(22)24/h1-3,5-9,13,18-19,31H,4,10-12,14-16H2,(H,30,33).
What are the key properties of N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide?
N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide is sourced from PubChem (CID 22909477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).