N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

C22H34N2O2 — CID 26523138

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H34N2O2/c1-14(22-11-15-8-16(12-22)10-17(9-15)13-22)23-20(25)18-4-6-24(7-5-18)21(26)19-2-3-19/h14-19H,2-13H2,1H3,(H,23,25)/t14-,15?,16?,17?,22?/m1/s1
InChIKeyXBYXRGAZGZFQOD-XSXQVXRUSA-N
MW358.53 g/mol
LogP3.36
Rot. Bonds4

About N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 26523138) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID26523138
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H34N2O2/c1-14(22-11-15-8-16(12-22)10-17(9-15)13-22)23-20(25)18-4-6-24(7-5-18)21(26)19-2-3-19/h14-19H,2-13H2,1H3,(H,23,25)/t14-,15?,16?,17?,22?/m1/s1
InChIKeyXBYXRGAZGZFQOD-XSXQVXRUSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl 4-[[(1S)-1-(1-adamantyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 38299370
N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 46560202
N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51113136
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109144455
(3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 92687204
1-(cyclopropanecarbonyl)-N-(4-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 115283610
N-[1-(1-adamantyl)ethyl]-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
CID 46272171
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108509038
1-(cyclopropanecarbonyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 171675755
N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 92667712
N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide
CID 18072126
N-[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]adamantane-1-carboxamide
CID 46115453

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 26523138) is N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is XBYXRGAZGZFQOD-XSXQVXRUSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-14(22-11-15-8-16(12-22)10-17(9-15)13-22)23-20(25)18-4-6-24(7-5-18)21(26)19-2-3-19/h14-19H,2-13H2,1H3,(H,23,25)/t14-,15?,16?,17?,22?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 26523138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).