4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide

C16H23IN2O — CID 79721151

IUPAC4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCNCC1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H23IN2O/c1-2-11-19(12-13-7-9-18-10-8-13)16(20)14-3-5-15(17)6-4-14/h3-6,13,18H,2,7-12H2,1H3
InChIKeyCDBPJVHUOOBYEV-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.14
Rot. Bonds5

About 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide

4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide (PubChem CID 79721151) has the molecular formula C16H23IN2O and a molecular weight of 386.28 g/mol. Its IUPAC name is 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
PubChem CID79721151
Molecular FormulaC16H23IN2O
Molecular Weight386.28 g/mol
Exact Mass386.09
IUPAC Name4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCNCC1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H23IN2O/c1-2-11-19(12-13-7-9-18-10-8-13)16(20)14-3-5-15(17)6-4-14/h3-6,13,18H,2,7-12H2,1H3
InChIKeyCDBPJVHUOOBYEV-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
5-methyl-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-carboxamide
CID 79720330
5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide
CID 79701574
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421
3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
CID 103209649
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720482
3-methyl-N-(piperidin-4-ylmethyl)-N-propylfuran-2-carboxamide
CID 79720557
5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720777

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The IUPAC name of 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide (CID 79721151) is 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide is CCCN(CC1CCNCC1)C(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The InChIKey is CDBPJVHUOOBYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2O/c1-2-11-19(12-13-7-9-18-10-8-13)16(20)14-3-5-15(17)6-4-14/h3-6,13,18H,2,7-12H2,1H3.
What are the key properties of 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide has a molecular weight of 386.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 79721151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).