2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C19H33N3O2 — CID 99849854

IUPAC2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESN[C@H]1CCCCC[C@@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H33N3O2/c20-17-7-3-1-2-6-16(17)19(24)22-12-8-15(9-13-22)14-18(23)21-10-4-5-11-21/h15-17H,1-14,20H2/t16-,17-/m0/s1
InChIKeyBUUHHJSSQTXQPM-IRXDYDNUSA-N
MW335.49 g/mol
LogP2.15
Rot. Bonds3

About 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 99849854) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID99849854
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESN[C@H]1CCCCC[C@@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H33N3O2/c20-17-7-3-1-2-6-16(17)19(24)22-12-8-15(9-13-22)14-18(23)21-10-4-5-11-21/h15-17H,1-14,20H2/t16-,17-/m0/s1
InChIKeyBUUHHJSSQTXQPM-IRXDYDNUSA-N
XLogP2.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 79615083
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
2-[1-(2-aminocyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 64822434
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-pyrrolidin-1-yl-2-[1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]ethanone
CID 71893538
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782399

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 99849854) is 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone is N[C@H]1CCCCC[C@@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is BUUHHJSSQTXQPM-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H33N3O2/c20-17-7-3-1-2-6-16(17)19(24)22-12-8-15(9-13-22)14-18(23)21-10-4-5-11-21/h15-17H,1-14,20H2/t16-,17-/m0/s1.
What are the key properties of 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 335.49 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 99849854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).