1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one

C21H31N3O2 — CID 129279622

IUPAC1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H31N3O2/c25-21(24-12-14-26-15-13-24)8-11-23-9-6-18(7-10-23)22-20-16-19(20)17-4-2-1-3-5-17/h1-5,18-20,22H,6-16H2/t19-,20+/m0/s1
InChIKeyHCFBUBHFNFJNHC-VQTJNVASSA-N
MW357.50 g/mol
LogP1.85
Rot. Bonds6

About 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one

1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one (PubChem CID 129279622) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one
PubChem CID129279622
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H31N3O2/c25-21(24-12-14-26-15-13-24)8-11-23-9-6-18(7-10-23)22-20-16-19(20)17-4-2-1-3-5-17/h1-5,18-20,22H,6-16H2/t19-,20+/m0/s1
InChIKeyHCFBUBHFNFJNHC-VQTJNVASSA-N
XLogP1.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one 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 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one (CID 129279622) is 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one is O=C(CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is HCFBUBHFNFJNHC-VQTJNVASSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-21(24-12-14-26-15-13-24)8-11-23-9-6-18(7-10-23)22-20-16-19(20)17-4-2-1-3-5-17/h1-5,18-20,22H,6-16H2/t19-,20+/m0/s1.
What are the key properties of 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 357.50 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129279622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).