3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide

C19H29N3O2 — CID 119953980

IUPAC3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
SMILESNC(CC(=O)NC1CCN(CC2CCOC2)CC1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c20-18(16-4-2-1-3-5-16)12-19(23)21-17-6-9-22(10-7-17)13-15-8-11-24-14-15/h1-5,15,17-18H,6-14,20H2,(H,21,23)
InChIKeyGXXPRWQKKBODCD-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.69
Rot. Bonds6

About 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide

3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 119953980) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID119953980
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
SMILESNC(CC(=O)NC1CCN(CC2CCOC2)CC1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c20-18(16-4-2-1-3-5-16)12-19(23)21-17-6-9-22(10-7-17)13-15-8-11-24-14-15/h1-5,15,17-18H,6-14,20H2,(H,21,23)
InChIKeyGXXPRWQKKBODCD-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518
2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 95631988
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
4-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 126766581
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119953381

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide (CID 119953980) is 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide is NC(CC(=O)NC1CCN(CC2CCOC2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is GXXPRWQKKBODCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-18(16-4-2-1-3-5-16)12-19(23)21-17-6-9-22(10-7-17)13-15-8-11-24-14-15/h1-5,15,17-18H,6-14,20H2,(H,21,23).
What are the key properties of 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide?
3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 119953980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).