(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide

C17H25N3O — CID 78984552

IUPAC(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C17H25N3O/c18-16(12-13-4-2-1-3-5-13)17(21)19-14-8-10-20(11-9-14)15-6-7-15/h1-5,14-16H,6-12,18H2,(H,19,21)/t16-/m1/s1
InChIKeyNFSRTXAWHZHULP-MRXNPFEDSA-N
MW287.41 g/mol
LogP1.30
Rot. Bonds5

About (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide

(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 78984552) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID78984552
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C17H25N3O/c18-16(12-13-4-2-1-3-5-13)17(21)19-14-8-10-20(11-9-14)15-6-7-15/h1-5,14-16H,6-12,18H2,(H,19,21)/t16-/m1/s1
InChIKeyNFSRTXAWHZHULP-MRXNPFEDSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 114928005
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide (CID 78984552) is (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide is N[C@H](Cc1ccccc1)C(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is NFSRTXAWHZHULP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16(12-13-4-2-1-3-5-13)17(21)19-14-8-10-20(11-9-14)15-6-7-15/h1-5,14-16H,6-12,18H2,(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide?
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 287.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 78984552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).