1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone

C23H33N3O3 — CID 119624305

IUPAC1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(C(=O)N2CCC(NCC3CC3)CC2)CC1
InChIInChI=1S/C23H33N3O3/c27-22(17-29-21-4-2-1-3-5-21)25-12-8-19(9-13-25)23(28)26-14-10-20(11-15-26)24-16-18-6-7-18/h1-5,18-20,24H,6-17H2
InChIKeyMVUMEEFPOCEVDM-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.29
Rot. Bonds7

About 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone

1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 119624305) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID119624305
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(C(=O)N2CCC(NCC3CC3)CC2)CC1
InChIInChI=1S/C23H33N3O3/c27-22(17-29-21-4-2-1-3-5-21)25-12-8-19(9-13-25)23(28)26-14-10-20(11-15-26)24-16-18-6-7-18/h1-5,18-20,24H,6-17H2
InChIKeyMVUMEEFPOCEVDM-UHFFFAOYSA-N
XLogP2.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119623158
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone;hydrochloride
CID 119622083
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119624774
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 119622438
cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 113283403
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone (CID 119624305) is 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC(C(=O)N2CCC(NCC3CC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is MVUMEEFPOCEVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-22(17-29-21-4-2-1-3-5-21)25-12-8-19(9-13-25)23(28)26-14-10-20(11-15-26)24-16-18-6-7-18/h1-5,18-20,24H,6-17H2.
What are the key properties of 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 399.54 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 119624305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).