ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone

C22H43N3O — CID 169158837

IUPACethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
SMILESCC.CCCN1CCC(N2CCC(N3CCC(C(C)=O)CC3)CC2)CC1
InChIInChI=1S/C20H37N3O.C2H6/c1-3-10-21-11-6-19(7-12-21)23-15-8-20(9-16-23)22-13-4-18(5-14-22)17(2)24;1-2/h18-20H,3-16H2,1-2H3;1-2H3
InChIKeyAJTPJDBCKZXOHE-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.65
Rot. Bonds5

About ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone

ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone (PubChem CID 169158837) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
PubChem CID169158837
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Nameethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
SMILESCC.CCCN1CCC(N2CCC(N3CCC(C(C)=O)CC3)CC2)CC1
InChIInChI=1S/C20H37N3O.C2H6/c1-3-10-21-11-6-19(7-12-21)23-15-8-20(9-16-23)22-13-4-18(5-14-22)17(2)24;1-2/h18-20H,3-16H2,1-2H3;1-2H3
InChIKeyAJTPJDBCKZXOHE-UHFFFAOYSA-N
XLogP3.65
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(1-propylpyrrolidin-3-yl)ethanone
CID 91068645
1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone
CID 64750444
1-[1-(1-ethylazetidin-3-yl)piperidin-4-yl]ethanone
CID 155067124
1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
CID 63846150
1-propylpiperidine-4-carboxamide
CID 18678413
N-hydroxy-1-propylpiperidine-4-carboxamide;hydrochloride
CID 141032526
4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
(3S)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 30982597
2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 65069382
1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 28641556
1-[1-(3-methylbut-3-enyl)piperidin-4-yl]ethanone
CID 114472635
1-(1-but-3-ynylpiperidin-4-yl)ethanone
CID 63846870

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone?
The IUPAC name of ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone (CID 169158837) is ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone.
What is the SMILES notation for ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone?
The canonical SMILES for ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone is CC.CCCN1CCC(N2CCC(N3CCC(C(C)=O)CC3)CC2)CC1.
What is the InChIKey of ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone?
The InChIKey is AJTPJDBCKZXOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O.C2H6/c1-3-10-21-11-6-19(7-12-21)23-15-8-20(9-16-23)22-13-4-18(5-14-22)17(2)24;1-2/h18-20H,3-16H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone?
ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone has a molecular weight of 365.61 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone is sourced from PubChem (CID 169158837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).