4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

C20H25ClN4O2 — CID 55803550

IUPAC4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESCc1cc(OCCCC(=O)NC2CCCN(c3ncccn3)C2)ccc1Cl
InChIInChI=1S/C20H25ClN4O2/c1-15-13-17(7-8-18(15)21)27-12-3-6-19(26)24-16-5-2-11-25(14-16)20-22-9-4-10-23-20/h4,7-10,13,16H,2-3,5-6,11-12,14H2,1H3,(H,24,26)
InChIKeyQLKYFKVUDHNWQS-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.38
Rot. Bonds7

About 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (PubChem CID 55803550) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
PubChem CID55803550
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESCc1cc(OCCCC(=O)NC2CCCN(c3ncccn3)C2)ccc1Cl
InChIInChI=1S/C20H25ClN4O2/c1-15-13-17(7-8-18(15)21)27-12-3-6-19(26)24-16-5-2-11-25(14-16)20-22-9-4-10-23-20/h4,7-10,13,16H,2-3,5-6,11-12,14H2,1H3,(H,24,26)
InChIKeyQLKYFKVUDHNWQS-UHFFFAOYSA-N
XLogP3.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide 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

3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 71893149
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
CID 125165028
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (CID 55803550) is 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is Cc1cc(OCCCC(=O)NC2CCCN(c3ncccn3)C2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The InChIKey is QLKYFKVUDHNWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-15-13-17(7-8-18(15)21)27-12-3-6-19(26)24-16-5-2-11-25(14-16)20-22-9-4-10-23-20/h4,7-10,13,16H,2-3,5-6,11-12,14H2,1H3,(H,24,26).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide has a molecular weight of 388.90 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is sourced from PubChem (CID 55803550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).