[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone

C16H26N2O2 — CID 108972017

IUPAC[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESCC1CCCN(C(=O)C2(C(=O)N3CCCCC3)CC2)C1
InChIInChI=1S/C16H26N2O2/c1-13-6-5-11-18(12-13)15(20)16(7-8-16)14(19)17-9-3-2-4-10-17/h13H,2-12H2,1H3
InChIKeyXVEDWOFUURAFBH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds2

About [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone

[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone (PubChem CID 108972017) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
PubChem CID108972017
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESCC1CCCN(C(=O)C2(C(=O)N3CCCCC3)CC2)C1
InChIInChI=1S/C16H26N2O2/c1-13-6-5-11-18(12-13)15(20)16(7-8-16)14(19)17-9-3-2-4-10-17/h13H,2-12H2,1H3
InChIKeyXVEDWOFUURAFBH-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342
3-methylpiperidine-1-carboxylic acid
CID 22047728
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
N-(2,3-dichlorophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980221
1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103195835
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
3-methylpiperidine-1-carboxamide
CID 16786142

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone (CID 108972017) is [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone is CC1CCCN(C(=O)C2(C(=O)N3CCCCC3)CC2)C1.
What is the InChIKey of [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is XVEDWOFUURAFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-6-5-11-18(12-13)15(20)16(7-8-16)14(19)17-9-3-2-4-10-17/h13H,2-12H2,1H3.
What are the key properties of [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 278.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 108972017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).