N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide

C20H22N4O — CID 90349842

IUPACN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C20H22N4O/c1-2-19(25)24(17-8-4-3-5-9-17)18-10-13-23(14-11-18)20-16(15-21)7-6-12-22-20/h3-9,12,18H,2,10-11,13-14H2,1H3
InChIKeySRTTXFVDNUNCOF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.37
Rot. Bonds4

About N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide

N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 90349842) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID90349842
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C20H22N4O/c1-2-19(25)24(17-8-4-3-5-9-17)18-10-13-23(14-11-18)20-16(15-21)7-6-12-22-20/h3-9,12,18H,2,10-11,13-14H2,1H3
InChIKeySRTTXFVDNUNCOF-UHFFFAOYSA-N
XLogP3.37
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide (CID 90349842) is N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is SRTTXFVDNUNCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-19(25)24(17-8-4-3-5-9-17)18-10-13-23(14-11-18)20-16(15-21)7-6-12-22-20/h3-9,12,18H,2,10-11,13-14H2,1H3.
What are the key properties of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 90349842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).