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

C30H50N6O5 — CID 156856703

IUPACN-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide
SMILESN#CC1(C(=O)N2CCC(N(CCN3CCOCC3)C(=O)CN3CCOCC3)CC2)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C30H50N6O5/c31-25-30(5-9-33(10-6-30)23-26-3-17-39-18-4-26)29(38)35-7-1-27(2-8-35)36(12-11-32-13-19-40-20-14-32)28(37)24-34-15-21-41-22-16-34/h26-27H,1-24H2
InChIKeyKNITYYSWYPZSND-UHFFFAOYSA-N
MW574.77 g/mol
LogP0.50
Rot. Bonds9

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

N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 156856703) has the molecular formula C30H50N6O5 and a molecular weight of 574.77 g/mol. Its IUPAC name is N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID156856703
Molecular FormulaC30H50N6O5
Molecular Weight574.77 g/mol
Exact Mass574.38
IUPAC NameN-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide
SMILESN#CC1(C(=O)N2CCC(N(CCN3CCOCC3)C(=O)CN3CCOCC3)CC2)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C30H50N6O5/c31-25-30(5-9-33(10-6-30)23-26-3-17-39-18-4-26)29(38)35-7-1-27(2-8-35)36(12-11-32-13-19-40-20-14-32)28(37)24-34-15-21-41-22-16-34/h26-27H,1-24H2
InChIKeyKNITYYSWYPZSND-UHFFFAOYSA-N
XLogP0.50
TPSA101.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.77
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide 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-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide (CID 156856703) is N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide is N#CC1(C(=O)N2CCC(N(CCN3CCOCC3)C(=O)CN3CCOCC3)CC2)CCN(CC2CCOCC2)CC1.
What is the InChIKey of N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is KNITYYSWYPZSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N6O5/c31-25-30(5-9-33(10-6-30)23-26-3-17-39-18-4-26)29(38)35-7-1-27(2-8-35)36(12-11-32-13-19-40-20-14-32)28(37)24-34-15-21-41-22-16-34/h26-27H,1-24H2.
What are the key properties of N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide?
N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 574.77 g/mol, XLogP of 0.50, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-cyano-1-(oxan-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 156856703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).