2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride

C23H30ClN3O2 — CID 119446523

IUPAC2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H29N3O2.ClH/c27-23(25-12-15-26-13-10-24-11-14-26)22-16-21(22)19-6-8-20(9-7-19)28-17-18-4-2-1-3-5-18;/h1-9,21-22,24H,10-17H2,(H,25,27);1H
InChIKeyQDSMPGDDCCQTJQ-UHFFFAOYSA-N
MW415.97 g/mol
LogP2.81
Rot. Bonds8

About 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride

2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119446523) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119446523
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H29N3O2.ClH/c27-23(25-12-15-26-13-10-24-11-14-26)22-16-21(22)19-6-8-20(9-7-19)28-17-18-4-2-1-3-5-18;/h1-9,21-22,24H,10-17H2,(H,25,27);1H
InChIKeyQDSMPGDDCCQTJQ-UHFFFAOYSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448623
cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082416
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119448721
trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448722
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride (CID 119446523) is 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)C1CC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is QDSMPGDDCCQTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.ClH/c27-23(25-12-15-26-13-10-24-11-14-26)22-16-21(22)19-6-8-20(9-7-19)28-17-18-4-2-1-3-5-18;/h1-9,21-22,24H,10-17H2,(H,25,27);1H.
What are the key properties of 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride?
2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119446523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).