N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide

C19H27N5O — CID 120837287

IUPACN-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1-n1nccc1CN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C19H27N5O/c1-15-5-2-3-7-18(15)24-17(8-10-22-24)14-23-12-4-6-16(13-23)19(25)21-11-9-20/h2-3,5,7-8,10,16H,4,6,9,11-14,20H2,1H3,(H,21,25)
InChIKeyLPVSRZCAWMGBFT-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.47
Rot. Bonds6

About N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 120837287) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
PubChem CID120837287
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1-n1nccc1CN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C19H27N5O/c1-15-5-2-3-7-18(15)24-17(8-10-22-24)14-23-12-4-6-16(13-23)19(25)21-11-9-20/h2-3,5,7-8,10,16H,4,6,9,11-14,20H2,1H3,(H,21,25)
InChIKeyLPVSRZCAWMGBFT-UHFFFAOYSA-N
XLogP1.47
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837260
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine
CID 120834087
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
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-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536
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-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916715

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide (CID 120837287) is N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide is Cc1ccccc1-n1nccc1CN1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is LPVSRZCAWMGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-5-2-3-7-18(15)24-17(8-10-22-24)14-23-12-4-6-16(13-23)19(25)21-11-9-20/h2-3,5,7-8,10,16H,4,6,9,11-14,20H2,1H3,(H,21,25).
What are the key properties of N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.47, 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-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120837287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).