N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide

C16H27N5O2 — CID 119480432

IUPACN-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)NCCN)C2)nn1C
InChIInChI=1S/C16H27N5O2/c1-11(2)14-9-13(19-20(14)3)16(23)21-8-4-5-12(10-21)15(22)18-7-6-17/h9,11-12H,4-8,10,17H2,1-3H3,(H,18,22)
InChIKeySDXDRTRSGKCUEX-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.47
Rot. Bonds5

About N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 119480432) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID119480432
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)NCCN)C2)nn1C
InChIInChI=1S/C16H27N5O2/c1-11(2)14-9-13(19-20(14)3)16(23)21-8-4-5-12(10-21)15(22)18-7-6-17/h9,11-12H,4-8,10,17H2,1-3H3,(H,18,22)
InChIKeySDXDRTRSGKCUEX-UHFFFAOYSA-N
XLogP0.47
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479473
[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 119489882
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
N-(2-aminoethyl)-1-(4-methylquinoline-2-carbonyl)piperidine-3-carboxamide
CID 126791837
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119482070
N-(2-aminoethyl)-1-(5-fluoro-3-methyl-2-nitrobenzoyl)piperidine-3-carboxamide
CID 119482021
N-(2-aminoethyl)-1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480050
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide (CID 119480432) is N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide is CC(C)c1cc(C(=O)N2CCCC(C(=O)NCCN)C2)nn1C.
What is the InChIKey of N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is SDXDRTRSGKCUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11(2)14-9-13(19-20(14)3)16(23)21-8-4-5-12(10-21)15(22)18-7-6-17/h9,11-12H,4-8,10,17H2,1-3H3,(H,18,22).
What are the key properties of N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.47, 5 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-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119480432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).