1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C19H29N3O2 — CID 99850189

IUPAC1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)C[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)21(3)19(24)16-9-11-22(12-10-16)18(23)13-17(20)15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,20H2,1-3H3/t17-/m0/s1
InChIKeyMANJIERHCLCIMK-KRWDZBQOSA-N
MW331.46 g/mol
LogP2.18
Rot. Bonds5

About 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 99850189) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID99850189
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)C[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)21(3)19(24)16-9-11-22(12-10-16)18(23)13-17(20)15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,20H2,1-3H3/t17-/m0/s1
InChIKeyMANJIERHCLCIMK-KRWDZBQOSA-N
XLogP2.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 99850189) is 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(C(=O)C[C@H](N)c2ccccc2)CC1.
What is the InChIKey of 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is MANJIERHCLCIMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)21(3)19(24)16-9-11-22(12-10-16)18(23)13-17(20)15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,20H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 99850189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).