N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride

C18H28ClN5O3 — CID 119481452

IUPACN-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NCCN)C2)c1.Cl
InChIInChI=1S/C18H27N5O3.ClH/c1-22(2)18(26)21-15-7-3-5-13(11-15)17(25)23-10-4-6-14(12-23)16(24)20-9-8-19;/h3,5,7,11,14H,4,6,8-10,12,19H2,1-2H3,(H,20,24)(H,21,26);1H
InChIKeyYADDMSAQZRQYTF-UHFFFAOYSA-N
MW397.91 g/mol
LogP1.13
Rot. Bonds5

About N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119481452) has the molecular formula C18H28ClN5O3 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119481452
Molecular FormulaC18H28ClN5O3
Molecular Weight397.91 g/mol
Exact Mass397.19
IUPAC NameN-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NCCN)C2)c1.Cl
InChIInChI=1S/C18H27N5O3.ClH/c1-22(2)18(26)21-15-7-3-5-13(11-15)17(25)23-10-4-6-14(12-23)16(24)20-9-8-19;/h3,5,7,11,14H,4,6,8-10,12,19H2,1-2H3,(H,20,24)(H,21,26);1H
InChIKeyYADDMSAQZRQYTF-UHFFFAOYSA-N
XLogP1.13
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479842
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
CID 119412176
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea
CID 119633495
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
N-(2-aminoethyl)-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481760

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride (CID 119481452) is N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride is CN(C)C(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NCCN)C2)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is YADDMSAQZRQYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3.ClH/c1-22(2)18(26)21-15-7-3-5-13(11-15)17(25)23-10-4-6-14(12-23)16(24)20-9-8-19;/h3,5,7,11,14H,4,6,8-10,12,19H2,1-2H3,(H,20,24)(H,21,26);1H.
What are the key properties of N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119481452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).