N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide

C21H33ClN2O2 — CID 108564224

IUPACN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide
SMILESO=C(CCCCl)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H33ClN2O2/c22-5-1-2-19(25)23-18-3-6-24(7-4-18)20(26)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,1-14H2,(H,23,25)
InChIKeyRVUHPBWDHWJLFM-UHFFFAOYSA-N
MW380.96 g/mol
LogP3.72
Rot. Bonds6

About N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide

N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide (PubChem CID 108564224) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide.

Molecular Properties

Compound NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide
PubChem CID108564224
Molecular FormulaC21H33ClN2O2
Molecular Weight380.96 g/mol
Exact Mass380.22
IUPAC NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide
SMILESO=C(CCCCl)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H33ClN2O2/c22-5-1-2-19(25)23-18-3-6-24(7-4-18)20(26)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,1-14H2,(H,23,25)
InChIKeyRVUHPBWDHWJLFM-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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-phenoxybutanamide
CID 108553602
1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-4-chlorobutan-1-one
CID 108568029
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564229
2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 108559979
4-chloro-N-cyclopropylbutanamide
CID 5152347
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
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43700730
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557565
1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile
CID 49064669
2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551002

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide?
The IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide (CID 108564224) is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide.
What is the SMILES notation for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide?
The canonical SMILES for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide is O=C(CCCCl)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide?
The InChIKey is RVUHPBWDHWJLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O2/c22-5-1-2-19(25)23-18-3-6-24(7-4-18)20(26)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,1-14H2,(H,23,25).
What are the key properties of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide?
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide has a molecular weight of 380.96 g/mol, XLogP of 3.72, 6 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]-4-chlorobutanamide is sourced from PubChem (CID 108564224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).