N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride

C22H30Cl2N4O2 — CID 154903511

IUPACN-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
SMILESCOc1cccc(-c2ccccc2NC(=O)N2CCN(C3CCNC3)CC2)c1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-28-19-6-4-5-17(15-19)20-7-2-3-8-21(20)24-22(27)26-13-11-25(12-14-26)18-9-10-23-16-18;;/h2-8,15,18,23H,9-14,16H2,1H3,(H,24,27);2*1H
InChIKeyOMWOQFDKZIBYBD-UHFFFAOYSA-N
MW453.41 g/mol
LogP3.72
Rot. Bonds4

About N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride

N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride (PubChem CID 154903511) has the molecular formula C22H30Cl2N4O2 and a molecular weight of 453.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
PubChem CID154903511
Molecular FormulaC22H30Cl2N4O2
Molecular Weight453.41 g/mol
Exact Mass452.17
IUPAC NameN-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
SMILESCOc1cccc(-c2ccccc2NC(=O)N2CCN(C3CCNC3)CC2)c1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-28-19-6-4-5-17(15-19)20-7-2-3-8-21(20)24-22(27)26-13-11-25(12-14-26)18-9-10-23-16-18;;/h2-8,15,18,23H,9-14,16H2,1H3,(H,24,27);2*1H
InChIKeyOMWOQFDKZIBYBD-UHFFFAOYSA-N
XLogP3.72
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
(1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 74232773
N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154903512
(2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 125168037
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 171686778
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703
2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid
CID 67598581
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 171330847
N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
CID 74251036
4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 72900546
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 71839654
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride (CID 154903511) is N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride is COc1cccc(-c2ccccc2NC(=O)N2CCN(C3CCNC3)CC2)c1.Cl.Cl.
What is the InChIKey of N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
The InChIKey is OMWOQFDKZIBYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.2ClH/c1-28-19-6-4-5-17(15-19)20-7-2-3-8-21(20)24-22(27)26-13-11-25(12-14-26)18-9-10-23-16-18;;/h2-8,15,18,23H,9-14,16H2,1H3,(H,24,27);2*1H.
What are the key properties of N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride has a molecular weight of 453.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 154903511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).