N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide

C16H27N5O2 — CID 119479459

IUPACN-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)n1cc(C(=O)N2CCCC(C(=O)NCCN)C2)cn1
InChIInChI=1S/C16H27N5O2/c1-16(2,3)21-11-13(9-19-21)15(23)20-8-4-5-12(10-20)14(22)18-7-6-17/h9,11-12H,4-8,10,17H2,1-3H3,(H,18,22)
InChIKeyPZRMWDWAEGFJBJ-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.57
Rot. Bonds4

About N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 119479459) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID119479459
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)n1cc(C(=O)N2CCCC(C(=O)NCCN)C2)cn1
InChIInChI=1S/C16H27N5O2/c1-16(2,3)21-11-13(9-19-21)15(23)20-8-4-5-12(10-20)14(22)18-7-6-17/h9,11-12H,4-8,10,17H2,1-3H3,(H,18,22)
InChIKeyPZRMWDWAEGFJBJ-UHFFFAOYSA-N
XLogP0.57
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide
CID 119481502
N-(2-aminoethyl)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 119479939
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 119480989
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide (CID 119479459) is N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide is CC(C)(C)n1cc(C(=O)N2CCCC(C(=O)NCCN)C2)cn1.
What is the InChIKey of N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is PZRMWDWAEGFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-16(2,3)21-11-13(9-19-21)15(23)20-8-4-5-12(10-20)14(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-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.57, 4 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-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119479459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).