[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C20H29ClN4O3 — CID 133305166

IUPAC[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC2CCN(CC3CCOC3)CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H29ClN4O3/c21-18-11-16(20(26)25-6-9-27-10-7-25)12-22-19(18)23-17-1-4-24(5-2-17)13-15-3-8-28-14-15/h11-12,15,17H,1-10,13-14H2,(H,22,23)
InChIKeyORVYOEHOZYEQKS-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.12
Rot. Bonds5

About [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133305166) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133305166
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC Name[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC2CCN(CC3CCOC3)CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H29ClN4O3/c21-18-11-16(20(26)25-6-9-27-10-7-25)12-22-19(18)23-17-1-4-24(5-2-17)13-15-3-8-28-14-15/h11-12,15,17H,1-10,13-14H2,(H,22,23)
InChIKeyORVYOEHOZYEQKS-UHFFFAOYSA-N
XLogP2.12
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone 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 [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133305166) is [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NC2CCN(CC3CCOC3)CC2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is ORVYOEHOZYEQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O3/c21-18-11-16(20(26)25-6-9-27-10-7-25)12-22-19(18)23-17-1-4-24(5-2-17)13-15-3-8-28-14-15/h11-12,15,17H,1-10,13-14H2,(H,22,23).
What are the key properties of [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 408.93 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133305166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).