N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H29N5O2 — CID 124683338

IUPACN-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCO[C@@H]1C[C@@H](N(C)C(=O)c2cn(C3CCNCC3)nn2)C1(C)C
InChIInChI=1S/C17H29N5O2/c1-5-24-15-10-14(17(15,2)3)21(4)16(23)13-11-22(20-19-13)12-6-8-18-9-7-12/h11-12,14-15,18H,5-10H2,1-4H3/t14-,15-/m1/s1
InChIKeyXIHWZBCPCDXXAX-HUUCEWRRSA-N
MW335.45 g/mol
LogP1.48
Rot. Bonds5

About N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 124683338) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID124683338
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCO[C@@H]1C[C@@H](N(C)C(=O)c2cn(C3CCNCC3)nn2)C1(C)C
InChIInChI=1S/C17H29N5O2/c1-5-24-15-10-14(17(15,2)3)21(4)16(23)13-11-22(20-19-13)12-6-8-18-9-7-12/h11-12,14-15,18H,5-10H2,1-4H3/t14-,15-/m1/s1
InChIKeyXIHWZBCPCDXXAX-HUUCEWRRSA-N
XLogP1.48
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide with MolForge

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Related Compounds

N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124684050
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119800326
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941
N-cyclohexyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63282846
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 79841941
4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
CID 63284811

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 124683338) is N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCO[C@@H]1C[C@@H](N(C)C(=O)c2cn(C3CCNCC3)nn2)C1(C)C.
What is the InChIKey of N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XIHWZBCPCDXXAX-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-5-24-15-10-14(17(15,2)3)21(4)16(23)13-11-22(20-19-13)12-6-8-18-9-7-12/h11-12,14-15,18H,5-10H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 124683338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).