(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C17H30N2O — CID 66477511

IUPAC(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCC(C3CCCN3)CC2)C1(C)C
InChIInChI=1S/C17H30N2O/c1-16(2)14(17(16,3)4)15(20)19-10-7-12(8-11-19)13-6-5-9-18-13/h12-14,18H,5-11H2,1-4H3
InChIKeyFAQQLNQKNSUSLE-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.66
Rot. Bonds2

About (4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 66477511) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID66477511
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCC(C3CCCN3)CC2)C1(C)C
InChIInChI=1S/C17H30N2O/c1-16(2)14(17(16,3)4)15(20)19-10-7-12(8-11-19)13-6-5-9-18-13/h12-14,18H,5-11H2,1-4H3
InChIKeyFAQQLNQKNSUSLE-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259153
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 63259596
2-adamantyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999448
(E)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 63259333
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 119999589
methyl 1,2,3,4,4a,5,6,8,9,9a-decahydropyrido[2,3-d]azepine-7-carboxylate
CID 83848939
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 112703555
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999699
(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999346
1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
CID 63259335
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999275
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 63259107

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 66477511) is (4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)N2CCC(C3CCCN3)CC2)C1(C)C.
What is the InChIKey of (4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is FAQQLNQKNSUSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-16(2)14(17(16,3)4)15(20)19-10-7-12(8-11-19)13-6-5-9-18-13/h12-14,18H,5-11H2,1-4H3.
What are the key properties of (4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 278.44 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-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 66477511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).