4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide

C19H29N3O2 — CID 97039182

IUPAC4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C19H29N3O2/c23-18(17-8-9-17)15-21-11-13-22(14-12-21)19(24)20-10-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18,23H,4,7-15H2,(H,20,24)/t18-/m0/s1
InChIKeyTULRLXWRUORDSQ-SFHVURJKSA-N
MW331.46 g/mol
LogP1.72
Rot. Bonds7

About 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide

4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 97039182) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID97039182
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C19H29N3O2/c23-18(17-8-9-17)15-21-11-13-22(14-12-21)19(24)20-10-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18,23H,4,7-15H2,(H,20,24)/t18-/m0/s1
InChIKeyTULRLXWRUORDSQ-SFHVURJKSA-N
XLogP1.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 97039182) is 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1.
What is the InChIKey of 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is TULRLXWRUORDSQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(17-8-9-17)15-21-11-13-22(14-12-21)19(24)20-10-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18,23H,4,7-15H2,(H,20,24)/t18-/m0/s1.
What are the key properties of 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 97039182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).