1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide

C19H33N3O2 — CID 94116306

IUPAC1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@H](C)CN(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C19H33N3O2/c1-14-11-15(2)13-21(12-14)10-7-20-18(23)16-5-8-22(9-6-16)19(24)17-3-4-17/h14-17H,3-13H2,1-2H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyHZOGTRHRGCRYEE-GJZGRUSLSA-N
MW335.49 g/mol
LogP1.73
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide (PubChem CID 94116306) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
PubChem CID94116306
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@H](C)CN(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C19H33N3O2/c1-14-11-15(2)13-21(12-14)10-7-20-18(23)16-5-8-22(9-6-16)19(24)17-3-4-17/h14-17H,3-13H2,1-2H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyHZOGTRHRGCRYEE-GJZGRUSLSA-N
XLogP1.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(cyclopropanecarbonyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 94115475
1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 46446968
1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980497
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide
CID 38427278
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 56862595
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852750
ethyl 1-[N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157413
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide (CID 94116306) is 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide is C[C@H]1C[C@H](C)CN(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is HZOGTRHRGCRYEE-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-14-11-15(2)13-21(12-14)10-7-20-18(23)16-5-8-22(9-6-16)19(24)17-3-4-17/h14-17H,3-13H2,1-2H3,(H,20,23)/t14-,15-/m0/s1.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 94116306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).