(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone

C16H30N2O — CID 63141988

IUPAC(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCC(C(C)(C)C)CC2)CCNC1
InChIInChI=1S/C16H30N2O/c1-5-16(8-9-17-12-16)14(19)18-10-6-13(7-11-18)15(2,3)4/h13,17H,5-12H2,1-4H3
InChIKeyMIGFWMFUFRTFHE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.66
Rot. Bonds2

About (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone

(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 63141988) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID63141988
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCC(C(C)(C)C)CC2)CCNC1
InChIInChI=1S/C16H30N2O/c1-5-16(8-9-17-12-16)14(19)18-10-6-13(7-11-18)15(2,3)4/h13,17H,5-12H2,1-4H3
InChIKeyMIGFWMFUFRTFHE-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 55165162
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 63140062
(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 65281182
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63128840
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217135

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone (CID 63141988) is (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone is CCC1(C(=O)N2CCC(C(C)(C)C)CC2)CCNC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is MIGFWMFUFRTFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-16(8-9-17-12-16)14(19)18-10-6-13(7-11-18)15(2,3)4/h13,17H,5-12H2,1-4H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone?
(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 266.43 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63141988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).