N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide

C12H21ClN2O3 — CID 108562169

IUPACN-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C12H21ClN2O3/c1-18-9-5-11(16)14-10-3-7-15(8-4-10)12(17)2-6-13/h10H,2-9H2,1H3,(H,14,16)
InChIKeyMPOXIRNPFSUKQA-UHFFFAOYSA-N
MW276.76 g/mol
LogP0.76
Rot. Bonds6

About N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide

N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide (PubChem CID 108562169) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide
PubChem CID108562169
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC NameN-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C12H21ClN2O3/c1-18-9-5-11(16)14-10-3-7-15(8-4-10)12(17)2-6-13/h10H,2-9H2,1H3,(H,14,16)
InChIKeyMPOXIRNPFSUKQA-UHFFFAOYSA-N
XLogP0.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108556221
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108566430
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556161
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108562763
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 43373029
tert-butyl N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558894
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
3-chloro-N-[1-(2-cyanoacetyl)piperidin-4-yl]propanamide
CID 108563263
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-cycloheptyl-3-methoxypropanamide
CID 110839127

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide (CID 108562169) is N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide is COCCC(=O)NC1CCN(C(=O)CCCl)CC1.
What is the InChIKey of N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide?
The InChIKey is MPOXIRNPFSUKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O3/c1-18-9-5-11(16)14-10-3-7-15(8-4-10)12(17)2-6-13/h10H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide?
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide has a molecular weight of 276.76 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 108562169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).