N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide

C20H31N3O3 — CID 7126890

IUPACN-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C20H31N3O3/c24-18(17-2-1-7-26-17)22-3-5-23(6-4-22)19(25)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h14-17H,1-13H2,(H,21,25)/t14?,15?,16?,17-,20?/m1/s1
InChIKeyIXUSARWTDBJCMJ-VQBCORBOSA-N
MW361.49 g/mol
LogP1.99
Rot. Bonds2

About N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide

N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide (PubChem CID 7126890) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
PubChem CID7126890
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C20H31N3O3/c24-18(17-2-1-7-26-17)22-3-5-23(6-4-22)19(25)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h14-17H,1-13H2,(H,21,25)/t14?,15?,16?,17-,20?/m1/s1
InChIKeyIXUSARWTDBJCMJ-VQBCORBOSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 46275369
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide
CID 108895998
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
CID 131655037
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide (CID 7126890) is N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The InChIKey is IXUSARWTDBJCMJ-VQBCORBOSA-N. The full InChI is InChI=1S/C20H31N3O3/c24-18(17-2-1-7-26-17)22-3-5-23(6-4-22)19(25)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h14-17H,1-13H2,(H,21,25)/t14?,15?,16?,17-,20?/m1/s1.
What are the key properties of N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 7126890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).