cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide

C19H33N3O3 — CID 46984214

IUPACcis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H33N3O3/c1-13(23)20-14-9-11-22(12-10-14)18(25)16-8-6-5-7-15(16)17(24)21-19(2,3)4/h14-16H,5-12H2,1-4H3,(H,20,23)(H,21,24)/t15-,16+/m1/s1
InChIKeySLSSSRQHGVMMOC-CVEARBPZSA-N
MW351.49 g/mol
LogP1.83
Rot. Bonds3

About cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide

cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide (PubChem CID 46984214) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide
PubChem CID46984214
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Namecis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H33N3O3/c1-13(23)20-14-9-11-22(12-10-14)18(25)16-8-6-5-7-15(16)17(24)21-19(2,3)4/h14-16H,5-12H2,1-4H3,(H,20,23)(H,21,24)/t15-,16+/m1/s1
InChIKeySLSSSRQHGVMMOC-CVEARBPZSA-N
XLogP1.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
CID 110819716
N-tert-butyl-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 113005394
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
cis-(1S,2R)-2-(pyrrolidine-1-carbonyl)-N-(thian-4-yl)cyclohexane-1-carboxamide
CID 95623329
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)-N-(thian-4-yl)cyclohexane-1-carboxamide
CID 95623326
N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420
4-N-tert-butyl-1-N-cyclopropylpiperidine-1,4-dicarboxamide
CID 47238287
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
2-N-tert-butylcyclohexane-1,2-dicarboxamide
CID 82041026

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide (CID 46984214) is cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide is CC(=O)NC1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC(C)(C)C)CC1.
What is the InChIKey of cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide?
The InChIKey is SLSSSRQHGVMMOC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-13(23)20-14-9-11-22(12-10-14)18(25)16-8-6-5-7-15(16)17(24)21-19(2,3)4/h14-16H,5-12H2,1-4H3,(H,20,23)(H,21,24)/t15-,16+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide?
cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 46984214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).