N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C15H27ClN6O2 — CID 119748169

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C15H26N6O2.ClH/c1-10(13(22)18-15(2,3)4)17-14(23)12-9-21(20-19-12)11-5-7-16-8-6-11;/h9-11,16H,5-8H2,1-4H3,(H,17,23)(H,18,22);1H
InChIKeyFZOIDESTCDBKRD-UHFFFAOYSA-N
MW358.87 g/mol
LogP0.66
Rot. Bonds4

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119748169) has the molecular formula C15H27ClN6O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119748169
Molecular FormulaC15H27ClN6O2
Molecular Weight358.87 g/mol
Exact Mass358.19
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C15H26N6O2.ClH/c1-10(13(22)18-15(2,3)4)17-14(23)12-9-21(20-19-12)11-5-7-16-8-6-11;/h9-11,16H,5-8H2,1-4H3,(H,17,23)(H,18,22);1H
InChIKeyFZOIDESTCDBKRD-UHFFFAOYSA-N
XLogP0.66
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119893954
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119748169) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(NC(=O)c1cn(C2CCNCC2)nn1)C(=O)NC(C)(C)C.Cl.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is FZOIDESTCDBKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2.ClH/c1-10(13(22)18-15(2,3)4)17-14(23)12-9-21(20-19-12)11-5-7-16-8-6-11;/h9-11,16H,5-8H2,1-4H3,(H,17,23)(H,18,22);1H.
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119748169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).