pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone

C24H32N4O — CID 56868753

IUPACpyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(c3ccnc4ccccc34)CC2)C1)N1CCCC1
InChIInChI=1S/C24H32N4O/c29-24(27-13-3-4-14-27)19-6-5-15-28(18-19)20-10-16-26(17-11-20)23-9-12-25-22-8-2-1-7-21(22)23/h1-2,7-9,12,19-20H,3-6,10-11,13-18H2
InChIKeyJWTBRFUIQDPYHD-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.54
Rot. Bonds3

About pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone

pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone (PubChem CID 56868753) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
PubChem CID56868753
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Namepyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(c3ccnc4ccccc34)CC2)C1)N1CCCC1
InChIInChI=1S/C24H32N4O/c29-24(27-13-3-4-14-27)19-6-5-15-28(18-19)20-10-16-26(17-11-20)23-9-12-25-22-8-2-1-7-21(22)23/h1-2,7-9,12,19-20H,3-6,10-11,13-18H2
InChIKeyJWTBRFUIQDPYHD-UHFFFAOYSA-N
XLogP3.54
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 95554065
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
[(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 95502907
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 56873239
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 70769541
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 95402787

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone (CID 56868753) is pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone is O=C(C1CCCN(C2CCN(c3ccnc4ccccc34)CC2)C1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is JWTBRFUIQDPYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c29-24(27-13-3-4-14-27)19-6-5-15-28(18-19)20-10-16-26(17-11-20)23-9-12-25-22-8-2-1-7-21(22)23/h1-2,7-9,12,19-20H,3-6,10-11,13-18H2.
What are the key properties of pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone?
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 392.55 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 56868753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).