2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide

C21H31N3O3 — CID 120788504

IUPAC2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
SMILESNC(C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C21H31N3O3/c22-20(17-10-14-27-15-11-17)21(26)23-18-8-12-24(13-9-18)19(25)7-6-16-4-2-1-3-5-16/h1-5,17-18,20H,6-15,22H2,(H,23,26)
InChIKeyRSVGHBMEWQLRTE-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.48
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide

2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 120788504) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
PubChem CID120788504
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
SMILESNC(C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C21H31N3O3/c22-20(17-10-14-27-15-11-17)21(26)23-18-8-12-24(13-9-18)19(25)7-6-16-4-2-1-3-5-16/h1-5,17-18,20H,6-15,22H2,(H,23,26)
InChIKeyRSVGHBMEWQLRTE-UHFFFAOYSA-N
XLogP1.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide 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

(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791121
2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride
CID 120986204
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786287
2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120797554
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide (CID 120788504) is 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide is NC(C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is RSVGHBMEWQLRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c22-20(17-10-14-27-15-11-17)21(26)23-18-8-12-24(13-9-18)19(25)7-6-16-4-2-1-3-5-16/h1-5,17-18,20H,6-15,22H2,(H,23,26).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide?
2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 120788504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).