N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide

C27H40N6O3 — CID 156856710

IUPACN-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCC(=O)N(CCN1CCOCC1)C1CCN(C(=O)C2(C#N)CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C27H40N6O3/c1-2-25(34)33(16-15-30-17-19-36-20-18-30)24-5-11-32(12-6-24)26(35)27(22-28)7-13-31(14-8-27)21-23-3-9-29-10-4-23/h3-4,9-10,24H,2,5-8,11-21H2,1H3
InChIKeyPGDANDPIPNGQPQ-UHFFFAOYSA-N
MW496.66 g/mol
LogP1.75
Rot. Bonds8

About N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide

N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 156856710) has the molecular formula C27H40N6O3 and a molecular weight of 496.66 g/mol. Its IUPAC name is N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID156856710
Molecular FormulaC27H40N6O3
Molecular Weight496.66 g/mol
Exact Mass496.32
IUPAC NameN-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCC(=O)N(CCN1CCOCC1)C1CCN(C(=O)C2(C#N)CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C27H40N6O3/c1-2-25(34)33(16-15-30-17-19-36-20-18-30)24-5-11-32(12-6-24)26(35)27(22-28)7-13-31(14-8-27)21-23-3-9-29-10-4-23/h3-4,9-10,24H,2,5-8,11-21H2,1H3
InChIKeyPGDANDPIPNGQPQ-UHFFFAOYSA-N
XLogP1.75
TPSA93.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.66
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 156856710) is N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is CCC(=O)N(CCN1CCOCC1)C1CCN(C(=O)C2(C#N)CCN(Cc3ccncc3)CC2)CC1.
What is the InChIKey of N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is PGDANDPIPNGQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O3/c1-2-25(34)33(16-15-30-17-19-36-20-18-30)24-5-11-32(12-6-24)26(35)27(22-28)7-13-31(14-8-27)21-23-3-9-29-10-4-23/h3-4,9-10,24H,2,5-8,11-21H2,1H3.
What are the key properties of N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 496.66 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-cyano-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 156856710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).