N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide

C16H23IN2O — CID 119672088

IUPACN-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
SMILESCc1cc(I)ccc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C16H23IN2O/c1-11(13-5-7-18-8-6-13)10-16(20)19-15-4-3-14(17)9-12(15)2/h3-4,9,11,13,18H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyPURVLSUEJHKUIL-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.56
Rot. Bonds4

About N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide

N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide (PubChem CID 119672088) has the molecular formula C16H23IN2O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
PubChem CID119672088
Molecular FormulaC16H23IN2O
Molecular Weight386.28 g/mol
Exact Mass386.09
IUPAC NameN-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
SMILESCc1cc(I)ccc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C16H23IN2O/c1-11(13-5-7-18-8-6-13)10-16(20)19-15-4-3-14(17)9-12(15)2/h3-4,9,11,13,18H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyPURVLSUEJHKUIL-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119743545
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
CID 119780736
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide (CID 119672088) is N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide is Cc1cc(I)ccc1NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide?
The InChIKey is PURVLSUEJHKUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2O/c1-11(13-5-7-18-8-6-13)10-16(20)19-15-4-3-14(17)9-12(15)2/h3-4,9,11,13,18H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide?
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide has a molecular weight of 386.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119672088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).