N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide

C23H38N2O2 — CID 108564229

IUPACN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H38N2O2/c1-22(2,3)14-20(26)24-19-4-6-25(7-5-19)21(27)15-23-11-16-8-17(12-23)10-18(9-16)13-23/h16-19H,4-15H2,1-3H3,(H,24,26)
InChIKeyLXOYVBLTPBYMKU-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.14
Rot. Bonds4

About N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide

N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 108564229) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID108564229
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H38N2O2/c1-22(2,3)14-20(26)24-19-4-6-25(7-5-19)21(27)15-23-11-16-8-17(12-23)10-18(9-16)13-23/h16-19H,4-15H2,1-3H3,(H,24,26)
InChIKeyLXOYVBLTPBYMKU-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556161
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide
CID 108564224
2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 108559979
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557565
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
CID 170087380
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
CID 108553602
2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 119374560
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551861

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide (CID 108564229) is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is LXOYVBLTPBYMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-22(2,3)14-20(26)24-19-4-6-25(7-5-19)21(27)15-23-11-16-8-17(12-23)10-18(9-16)13-23/h16-19H,4-15H2,1-3H3,(H,24,26).
What are the key properties of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide?
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 374.57 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 108564229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).