[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone

C19H27N3O2 — CID 97012499

IUPAC[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
SMILESO=C([C@H]1C[C@@H]1c1cccnc1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C19H27N3O2/c23-19(18-12-17(18)16-2-1-5-20-13-16)22-6-3-15(4-7-22)14-21-8-10-24-11-9-21/h1-2,5,13,15,17-18H,3-4,6-12,14H2/t17-,18+/m1/s1
InChIKeyIEINITQTPWZJIC-MSOLQXFVSA-N
MW329.44 g/mol
LogP1.76
Rot. Bonds4

About [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone

[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone (PubChem CID 97012499) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
PubChem CID97012499
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
SMILESO=C([C@H]1C[C@@H]1c1cccnc1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C19H27N3O2/c23-19(18-12-17(18)16-2-1-5-20-13-16)22-6-3-15(4-7-22)14-21-8-10-24-11-9-21/h1-2,5,13,15,17-18H,3-4,6-12,14H2/t17-,18+/m1/s1
InChIKeyIEINITQTPWZJIC-MSOLQXFVSA-N
XLogP1.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone 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 [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone?
The IUPAC name of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone (CID 97012499) is [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone.
What is the SMILES notation for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone?
The canonical SMILES for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone is O=C([C@H]1C[C@@H]1c1cccnc1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone?
The InChIKey is IEINITQTPWZJIC-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-19(18-12-17(18)16-2-1-5-20-13-16)22-6-3-15(4-7-22)14-21-8-10-24-11-9-21/h1-2,5,13,15,17-18H,3-4,6-12,14H2/t17-,18+/m1/s1.
What are the key properties of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone?
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone has a molecular weight of 329.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone is sourced from PubChem (CID 97012499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).