N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride

C17H25Cl2N3O2 — CID 71783427

IUPACN-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H24ClN3O2.ClH/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14;/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23);1H
InChIKeyMSRDESDRQHIPFQ-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.36
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride

N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 71783427) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID71783427
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H24ClN3O2.ClH/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14;/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23);1H
InChIKeyMSRDESDRQHIPFQ-UHFFFAOYSA-N
XLogP2.36
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride (CID 71783427) is N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(Cl)cc1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is MSRDESDRQHIPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14;/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23);1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride?
N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 71783427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).