6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile

C25H31N5O2 — CID 10025889

IUPAC6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3ccc(OCCCN4CCCCC4)cc3)CC2)nc1
InChIInChI=1S/C25H31N5O2/c26-19-21-5-10-24(27-20-21)29-14-16-30(17-15-29)25(31)22-6-8-23(9-7-22)32-18-4-13-28-11-2-1-3-12-28/h5-10,20H,1-4,11-18H2
InChIKeyGBEVESKGSXBGRH-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.17
Rot. Bonds7

About 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 10025889) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID10025889
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3ccc(OCCCN4CCCCC4)cc3)CC2)nc1
InChIInChI=1S/C25H31N5O2/c26-19-21-5-10-24(27-20-21)29-14-16-30(17-15-29)25(31)22-6-8-23(9-7-22)32-18-4-13-28-11-2-1-3-12-28/h5-10,20H,1-4,11-18H2
InChIKeyGBEVESKGSXBGRH-UHFFFAOYSA-N
XLogP3.17
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(3-piperidin-1-ylpropoxy)-2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile
CID 59250212
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
2-(4-benzoylpiperazin-1-yl)-5-(3-piperidin-1-ylpropoxy)benzonitrile
CID 59250207
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337
2-[3-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]ethylcarbamic acid
CID 146484137
(4-methylcyclohexyl)-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]methanone
CID 10072727
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062
6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 18133063

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 10025889) is 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)c3ccc(OCCCN4CCCCC4)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is GBEVESKGSXBGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c26-19-21-5-10-24(27-20-21)29-14-16-30(17-15-29)25(31)22-6-8-23(9-7-22)32-18-4-13-28-11-2-1-3-12-28/h5-10,20H,1-4,11-18H2.
What are the key properties of 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 433.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 10025889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).