N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C19H22N4O — CID 97333282

IUPACN-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C19H22N4O/c24-19(23-9-6-12(7-10-23)16-5-8-20-22-16)21-18-15-11-13-3-1-2-4-14(13)17(15)18/h1-5,8,12,15,17-18H,6-7,9-11H2,(H,20,22)(H,21,24)/t15-,17+,18-/m1/s1
InChIKeyLPNDWLGDJSMJFJ-BPQIPLTHSA-N
MW322.41 g/mol
LogP2.64
Rot. Bonds2

About N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 97333282) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID97333282
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C19H22N4O/c24-19(23-9-6-12(7-10-23)16-5-8-20-22-16)21-18-15-11-13-3-1-2-4-14(13)17(15)18/h1-5,8,12,15,17-18H,6-7,9-11H2,(H,20,22)(H,21,24)/t15-,17+,18-/m1/s1
InChIKeyLPNDWLGDJSMJFJ-BPQIPLTHSA-N
XLogP2.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 146143132
N-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75389205
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931
(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 77084129
[4-(1H-pyrazol-5-yl)piperidin-1-yl]-(2,3,4,5-tetrahydro-1-benzoxepin-4-yl)methanone
CID 72862171
[(7R)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 97339656
(2R)-N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide
CID 129436522
N-(2-piperidin-4-ylethyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 167989838
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75512640
[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 166226827
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155959173

Frequently Asked Questions

What is the IUPAC name of N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 97333282) is N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LPNDWLGDJSMJFJ-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(23-9-6-12(7-10-23)16-5-8-20-22-16)21-18-15-11-13-3-1-2-4-14(13)17(15)18/h1-5,8,12,15,17-18H,6-7,9-11H2,(H,20,22)(H,21,24)/t15-,17+,18-/m1/s1.
What are the key properties of N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97333282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).