1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide

C22H34N4O — CID 142966318

IUPAC1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide
SMILESCCN(CCCN(C)C(C)C)C(=O)C1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H34N4O/c1-5-25(14-6-13-24(4)18(2)3)22(27)20-11-15-26(16-12-20)21-9-7-19(17-23)8-10-21/h7-10,18,20H,5-6,11-16H2,1-4H3
InChIKeyLRDVUHOQQAKKHV-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.35
Rot. Bonds8

About 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide

1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide (PubChem CID 142966318) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide
PubChem CID142966318
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide
SMILESCCN(CCCN(C)C(C)C)C(=O)C1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H34N4O/c1-5-25(14-6-13-24(4)18(2)3)22(27)20-11-15-26(16-12-20)21-9-7-19(17-23)8-10-21/h7-10,18,20H,5-6,11-16H2,1-4H3
InChIKeyLRDVUHOQQAKKHV-UHFFFAOYSA-N
XLogP3.35
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide (CID 142966318) is 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide is CCN(CCCN(C)C(C)C)C(=O)C1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide?
The InChIKey is LRDVUHOQQAKKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-5-25(14-6-13-24(4)18(2)3)22(27)20-11-15-26(16-12-20)21-9-7-19(17-23)8-10-21/h7-10,18,20H,5-6,11-16H2,1-4H3.
What are the key properties of 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide?
1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 142966318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).