N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide

C18H28N4O2 — CID 97219565

IUPACN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C12CCC2
InChIInChI=1S/C18H28N4O2/c1-2-24-16-12-15(18(16)6-3-7-18)20-17(23)21-9-4-14(5-10-21)22-11-8-19-13-22/h8,11,13-16H,2-7,9-10,12H2,1H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyQFULTRWWYJINID-JKSUJKDBSA-N
MW332.45 g/mol
LogP2.58
Rot. Bonds4

About N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide

N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide (PubChem CID 97219565) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
PubChem CID97219565
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C12CCC2
InChIInChI=1S/C18H28N4O2/c1-2-24-16-12-15(18(16)6-3-7-18)20-17(23)21-9-4-14(5-10-21)22-11-8-19-13-22/h8,11,13-16H,2-7,9-10,12H2,1H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyQFULTRWWYJINID-JKSUJKDBSA-N
XLogP2.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004396
1-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(4-imidazol-1-ylbutyl)urea
CID 97029425
N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide
CID 111509101
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
CID 97021838
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-(4-imidazol-1-ylbutyl)urea
CID 97100650
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide
CID 96570090
(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 99623012
4-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999534
4-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999533
4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide
CID 97232797
N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 71929756
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]urea
CID 95928164

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide (CID 97219565) is N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide is CCO[C@@H]1C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C12CCC2.
What is the InChIKey of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The InChIKey is QFULTRWWYJINID-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-24-16-12-15(18(16)6-3-7-18)20-17(23)21-9-4-14(5-10-21)22-11-8-19-13-22/h8,11,13-16H,2-7,9-10,12H2,1H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide?
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 97219565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).