3-chloro-N-(3-piperidin-1-ylpropyl)propanamide

C11H21ClN2O — CID 43346643

IUPAC3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCCl)NCCCN1CCCCC1
InChIInChI=1S/C11H21ClN2O/c12-6-5-11(15)13-7-4-10-14-8-2-1-3-9-14/h1-10H2,(H,13,15)
InChIKeyJWBGZFDOOIOIRE-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.61
Rot. Bonds6

About 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide

3-chloro-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 43346643) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID43346643
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCCl)NCCCN1CCCCC1
InChIInChI=1S/C11H21ClN2O/c12-6-5-11(15)13-7-4-10-14-8-2-1-3-9-14/h1-10H2,(H,13,15)
InChIKeyJWBGZFDOOIOIRE-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 60843500
N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
CID 79193390
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide (CID 43346643) is 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide is O=C(CCCl)NCCCN1CCCCC1.
What is the InChIKey of 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is JWBGZFDOOIOIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O/c12-6-5-11(15)13-7-4-10-14-8-2-1-3-9-14/h1-10H2,(H,13,15).
What are the key properties of 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide?
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 232.75 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 43346643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).