N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide

C19H23N5O — CID 146143132

IUPACN-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C19H23N5O/c25-19(21-18-16-11-14-3-1-2-4-15(14)17(16)18)23-8-5-13(6-9-23)12-24-10-7-20-22-24/h1-4,7,10,13,16-18H,5-6,8-9,11-12H2,(H,21,25)/t16-,17+,18+/m0/s1
InChIKeyCXPXFIRWVVXBPI-RCCFBDPRSA-N
MW337.43 g/mol
LogP2.04
Rot. Bonds3

About N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide

N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 146143132) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID146143132
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C19H23N5O/c25-19(21-18-16-11-14-3-1-2-4-15(14)17(16)18)23-8-5-13(6-9-23)12-24-10-7-20-22-24/h1-4,7,10,13,16-18H,5-6,8-9,11-12H2,(H,21,25)/t16-,17+,18+/m0/s1
InChIKeyCXPXFIRWVVXBPI-RCCFBDPRSA-N
XLogP2.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 99623368
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97333282
N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 75388055
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 124569727
5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028268
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119822559
2,2-dimethyl-5-phenyl-1-[4-(triazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 126782225
[(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 128504001
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931
N-(oxan-4-yl)-3-(triazol-1-ylmethyl)azetidine-1-carboxamide
CID 126857952
N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 126773265
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(methylamino)acetamide
CID 119822552

Frequently Asked Questions

What is the IUPAC name of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide (CID 146143132) is N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide is O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCC(Cn2ccnn2)CC1.
What is the InChIKey of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is CXPXFIRWVVXBPI-RCCFBDPRSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(21-18-16-11-14-3-1-2-4-15(14)17(16)18)23-8-5-13(6-9-23)12-24-10-7-20-22-24/h1-4,7,10,13,16-18H,5-6,8-9,11-12H2,(H,21,25)/t16-,17+,18+/m0/s1.
What are the key properties of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 146143132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).