(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C17H31N3O — CID 63128840

IUPAC(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCC1(C(=O)N2CCC(N3CCCC3)CC2)CCNCC1
InChIInChI=1S/C17H31N3O/c1-2-17(7-9-18-10-8-17)16(21)20-13-5-15(6-14-20)19-11-3-4-12-19/h15,18H,2-14H2,1H3
InChIKeyATWSJVIKONANIC-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.85
Rot. Bonds3

About (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 63128840) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID63128840
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCC1(C(=O)N2CCC(N3CCCC3)CC2)CCNCC1
InChIInChI=1S/C17H31N3O/c1-2-17(7-9-18-10-8-17)16(21)20-13-5-15(6-14-20)19-11-3-4-12-19/h15,18H,2-14H2,1H3
InChIKeyATWSJVIKONANIC-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperidin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217313
(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217135
(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 55176815
N-[1-(4-ethylpiperidine-4-carbonyl)piperidin-4-yl]propanamide
CID 63128379
(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63127692
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 63129026
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488
(4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63128341
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220328

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 63128840) is (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CCC1(C(=O)N2CCC(N3CCCC3)CC2)CCNCC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is ATWSJVIKONANIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-2-17(7-9-18-10-8-17)16(21)20-13-5-15(6-14-20)19-11-3-4-12-19/h15,18H,2-14H2,1H3.
What are the key properties of (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 293.45 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63128840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).