5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide

C14H23ClN2O2 — CID 43700730

IUPAC5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
SMILESO=C(CCCCCl)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H23ClN2O2/c15-8-2-1-3-13(18)16-12-6-9-17(10-7-12)14(19)11-4-5-11/h11-12H,1-10H2,(H,16,18)
InChIKeyBESILRHASDPCFI-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.91
Rot. Bonds6

About 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide

5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide (PubChem CID 43700730) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
PubChem CID43700730
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
SMILESO=C(CCCCCl)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H23ClN2O2/c15-8-2-1-3-13(18)16-12-6-9-17(10-7-12)14(19)11-4-5-11/h11-12H,1-10H2,(H,16,18)
InChIKeyBESILRHASDPCFI-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.91
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

5-chloro-N-cyclooctylpentanamide
CID 28733608
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529
4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108564916
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
4-chloro-N-cyclopropylbutanamide
CID 5152347
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(propan-2-ylamino)propanamide
CID 60853818
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55706617
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide
CID 108564224
2-(butan-2-ylamino)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 60853761

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide?
The IUPAC name of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide (CID 43700730) is 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide?
The canonical SMILES for 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide is O=C(CCCCCl)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide?
The InChIKey is BESILRHASDPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c15-8-2-1-3-13(18)16-12-6-9-17(10-7-12)14(19)11-4-5-11/h11-12H,1-10H2,(H,16,18).
What are the key properties of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide?
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide has a molecular weight of 286.80 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 43700730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).