2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide

C20H26ClFN2O2 — CID 154874831

IUPAC2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(NC(=O)CCl)C1CCN(C(=O)C(c2ccc(F)cc2)C2CC2)CC1
InChIInChI=1S/C20H26ClFN2O2/c1-13(23-18(25)12-21)14-8-10-24(11-9-14)20(26)19(15-2-3-15)16-4-6-17(22)7-5-16/h4-7,13-15,19H,2-3,8-12H2,1H3,(H,23,25)
InChIKeyDNMXODRCERQTRQ-UHFFFAOYSA-N
MW380.89 g/mol
LogP3.30
Rot. Bonds6

About 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide

2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide (PubChem CID 154874831) has the molecular formula C20H26ClFN2O2 and a molecular weight of 380.89 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide
PubChem CID154874831
Molecular FormulaC20H26ClFN2O2
Molecular Weight380.89 g/mol
Exact Mass380.17
IUPAC Name2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(NC(=O)CCl)C1CCN(C(=O)C(c2ccc(F)cc2)C2CC2)CC1
InChIInChI=1S/C20H26ClFN2O2/c1-13(23-18(25)12-21)14-8-10-24(11-9-14)20(26)19(15-2-3-15)16-4-6-17(22)7-5-16/h4-7,13-15,19H,2-3,8-12H2,1H3,(H,23,25)
InChIKeyDNMXODRCERQTRQ-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 40789873
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
2-cyclopropyl-2-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110428220
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
2-[4-[bis(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8790788
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
CID 146103213
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553
2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110023282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide (CID 154874831) is 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide is CC(NC(=O)CCl)C1CCN(C(=O)C(c2ccc(F)cc2)C2CC2)CC1.
What is the InChIKey of 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide?
The InChIKey is DNMXODRCERQTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClFN2O2/c1-13(23-18(25)12-21)14-8-10-24(11-9-14)20(26)19(15-2-3-15)16-4-6-17(22)7-5-16/h4-7,13-15,19H,2-3,8-12H2,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide?
2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide has a molecular weight of 380.89 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 154874831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).