N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C18H29N5O2 — CID 124683410

IUPACN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2nnn(C3CCNCC3)c2C)C12CCC2
InChIInChI=1S/C18H29N5O2/c1-3-25-15-11-14(18(15)7-4-8-18)20-17(24)16-12(2)23(22-21-16)13-5-9-19-10-6-13/h13-15,19H,3-11H2,1-2H3,(H,20,24)/t14-,15+/m0/s1
InChIKeyGHOYMKXZRMPNEM-LSDHHAIUSA-N
MW347.46 g/mol
LogP1.59
Rot. Bonds5

About N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 124683410) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID124683410
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2nnn(C3CCNCC3)c2C)C12CCC2
InChIInChI=1S/C18H29N5O2/c1-3-25-15-11-14(18(15)7-4-8-18)20-17(24)16-12(2)23(22-21-16)13-5-9-19-10-6-13/h13-15,19H,3-11H2,1-2H3,(H,20,24)/t14-,15+/m0/s1
InChIKeyGHOYMKXZRMPNEM-LSDHHAIUSA-N
XLogP1.59
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119803468
N-(3-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793290
N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119818944
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119817932
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119889049
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119812287
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788299
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 124683410) is N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCO[C@@H]1C[C@H](NC(=O)c2nnn(C3CCNCC3)c2C)C12CCC2.
What is the InChIKey of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GHOYMKXZRMPNEM-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-25-15-11-14(18(15)7-4-8-18)20-17(24)16-12(2)23(22-21-16)13-5-9-19-10-6-13/h13-15,19H,3-11H2,1-2H3,(H,20,24)/t14-,15+/m0/s1.
What are the key properties of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 124683410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).