N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride

C22H30Cl2N4O3 — CID 119479592

IUPACN-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride
SMILESCOc1cccc(Nc2ccccc2C(=O)N2CCCC(C(=O)NCCN)C2)c1.Cl.Cl
InChIInChI=1S/C22H28N4O3.2ClH/c1-29-18-8-4-7-17(14-18)25-20-10-3-2-9-19(20)22(28)26-13-5-6-16(15-26)21(27)24-12-11-23;;/h2-4,7-10,14,16,25H,5-6,11-13,15,23H2,1H3,(H,24,27);2*1H
InChIKeyVTVCKVLODXQNRD-UHFFFAOYSA-N
MW469.41 g/mol
LogP3.21
Rot. Bonds7

About N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119479592) has the molecular formula C22H30Cl2N4O3 and a molecular weight of 469.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119479592
Molecular FormulaC22H30Cl2N4O3
Molecular Weight469.41 g/mol
Exact Mass468.17
IUPAC NameN-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride
SMILESCOc1cccc(Nc2ccccc2C(=O)N2CCCC(C(=O)NCCN)C2)c1.Cl.Cl
InChIInChI=1S/C22H28N4O3.2ClH/c1-29-18-8-4-7-17(14-18)25-20-10-3-2-9-19(20)22(28)26-13-5-6-16(15-26)21(27)24-12-11-23;;/h2-4,7-10,14,16,25H,5-6,11-13,15,23H2,1H3,(H,24,27);2*1H
InChIKeyVTVCKVLODXQNRD-UHFFFAOYSA-N
XLogP3.21
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone
CID 119377562
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(3-methoxyanilino)phenyl]methanone;dihydrochloride
CID 119635311
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
N-(2-aminoethyl)-1-(4-bromo-2-methoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480740
N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
CID 119481601
[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576643
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
N-(2-aminoethyl)-1-(4-methoxythiophene-2-carbonyl)piperidine-3-carboxamide
CID 81121460
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride (CID 119479592) is N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride is COc1cccc(Nc2ccccc2C(=O)N2CCCC(C(=O)NCCN)C2)c1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is VTVCKVLODXQNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3.2ClH/c1-29-18-8-4-7-17(14-18)25-20-10-3-2-9-19(20)22(28)26-13-5-6-16(15-26)21(27)24-12-11-23;;/h2-4,7-10,14,16,25H,5-6,11-13,15,23H2,1H3,(H,24,27);2*1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 469.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119479592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).