N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide

C18H25N3O2 — CID 119278106

IUPACN-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C18H25N3O2/c19-16(12-13-4-2-1-3-5-13)18(23)21-10-8-15(9-11-21)20-17(22)14-6-7-14/h1-5,14-16H,6-12,19H2,(H,20,22)/t16-/m0/s1
InChIKeyQYJNRZNNYRBBJJ-INIZCTEOSA-N
MW315.42 g/mol
LogP1.07
Rot. Bonds5

About N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 119278106) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID119278106
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C18H25N3O2/c19-16(12-13-4-2-1-3-5-13)18(23)21-10-8-15(9-11-21)20-17(22)14-6-7-14/h1-5,14-16H,6-12,19H2,(H,20,22)/t16-/m0/s1
InChIKeyQYJNRZNNYRBBJJ-INIZCTEOSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119272890
(2S)-2-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoic acid;hydrochloride
CID 52993906
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839037
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
CID 57253914
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323399
N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119329196

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide (CID 119278106) is N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide is N[C@@H](Cc1ccccc1)C(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is QYJNRZNNYRBBJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-16(12-13-4-2-1-3-5-13)18(23)21-10-8-15(9-11-21)20-17(22)14-6-7-14/h1-5,14-16H,6-12,19H2,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 119278106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).