N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide

C21H32N2O3 — CID 108555301

IUPACN-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)C1CCCO1
InChIInChI=1S/C21H32N2O3/c24-19(18-2-1-7-26-18)22-17-3-5-23(6-4-17)20(25)21-11-14-8-15(12-21)10-16(9-14)13-21/h14-18H,1-13H2,(H,22,24)
InChIKeyHNDCKWVZWYYZBL-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.49
Rot. Bonds3

About N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide

N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 108555301) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
PubChem CID108555301
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)C1CCCO1
InChIInChI=1S/C21H32N2O3/c24-19(18-2-1-7-26-18)22-17-3-5-23(6-4-17)20(25)21-11-14-8-15(12-21)10-16(9-14)13-21/h14-18H,1-13H2,(H,22,24)
InChIKeyHNDCKWVZWYYZBL-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
CID 108555299
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108561805
1-adamantyl(azepan-1-yl)methanone
CID 2838808
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenylacetamide
CID 108551322

Frequently Asked Questions

What is the IUPAC name of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide (CID 108555301) is N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide is O=C(NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)C1CCCO1.
What is the InChIKey of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is HNDCKWVZWYYZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-19(18-2-1-7-26-18)22-17-3-5-23(6-4-17)20(25)21-11-14-8-15(12-21)10-16(9-14)13-21/h14-18H,1-13H2,(H,22,24).
What are the key properties of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide?
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 108555301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).