N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride

C18H26ClN5O — CID 119916715

IUPACN-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C18H25N5O.ClH/c19-8-9-20-18(24)16-5-4-10-22(14-16)12-15-11-21-23(13-15)17-6-2-1-3-7-17;/h1-3,6-7,11,13,16H,4-5,8-10,12,14,19H2,(H,20,24);1H
InChIKeyDERPRIPKTKXBOI-UHFFFAOYSA-N
MW363.89 g/mol
LogP1.58
Rot. Bonds6

About N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119916715) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119916715
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC NameN-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C18H25N5O.ClH/c19-8-9-20-18(24)16-5-4-10-22(14-16)12-15-11-21-23(13-15)17-6-2-1-3-7-17;/h1-3,6-7,11,13,16H,4-5,8-10,12,14,19H2,(H,20,24);1H
InChIKeyDERPRIPKTKXBOI-UHFFFAOYSA-N
XLogP1.58
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 64829338
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917289
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[2-[benzyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119916928
N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81431674
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
methyl 3-[[3-(2-aminoethylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 120837370

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119916715) is N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(Cc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is DERPRIPKTKXBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.ClH/c19-8-9-20-18(24)16-5-4-10-22(14-16)12-15-11-21-23(13-15)17-6-2-1-3-7-17;/h1-3,6-7,11,13,16H,4-5,8-10,12,14,19H2,(H,20,24);1H.
What are the key properties of N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119916715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).