2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

C21H39N3O3 — CID 154756020

IUPAC2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCCC(CC)(CCO)NCC(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C21H39N3O3/c1-4-21(5-2,10-14-25)22-15-19(26)23-12-8-18(9-13-23)20(27)24-11-6-7-17(3)16-24/h17-18,22,25H,4-16H2,1-3H3
InChIKeyJIRFLOMPDJGMJR-UHFFFAOYSA-N
MW381.56 g/mol
LogP2.01
Rot. Bonds8

About 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 154756020) has the molecular formula C21H39N3O3 and a molecular weight of 381.56 g/mol. Its IUPAC name is 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID154756020
Molecular FormulaC21H39N3O3
Molecular Weight381.56 g/mol
Exact Mass381.30
IUPAC Name2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCCC(CC)(CCO)NCC(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C21H39N3O3/c1-4-21(5-2,10-14-25)22-15-19(26)23-12-8-18(9-13-23)20(27)24-11-6-7-17(3)16-24/h17-18,22,25H,4-16H2,1-3H3
InChIKeyJIRFLOMPDJGMJR-UHFFFAOYSA-N
XLogP2.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 119294723
4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 106178157
[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 111432780
3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 100617212
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119733147
[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 120847877
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 126806340
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 127415975
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (CID 154756020) is 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is CCC(CC)(CCO)NCC(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is JIRFLOMPDJGMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O3/c1-4-21(5-2,10-14-25)22-15-19(26)23-12-8-18(9-13-23)20(27)24-11-6-7-17(3)16-24/h17-18,22,25H,4-16H2,1-3H3.
What are the key properties of 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 381.56 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 154756020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).