1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide

C14H27N3O3 — CID 60689284

IUPAC1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide
SMILESCCCCN(CCO)CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H27N3O3/c1-2-3-6-16(8-9-18)11-13(19)17-7-4-5-12(10-17)14(15)20/h12,18H,2-11H2,1H3,(H2,15,20)
InChIKeyOSPTTXVMCFVCOP-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.20
Rot. Bonds8

About 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide

1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide (PubChem CID 60689284) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide
PubChem CID60689284
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide
SMILESCCCCN(CCO)CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H27N3O3/c1-2-3-6-16(8-9-18)11-13(19)17-7-4-5-12(10-17)14(15)20/h12,18H,2-11H2,1H3,(H2,15,20)
InChIKeyOSPTTXVMCFVCOP-UHFFFAOYSA-N
XLogP-0.20
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate
CID 94458961
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
2-[2-[decyl(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone
CID 162463057
ethyl (3R)-1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 95378613
ethyl 1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 56809362
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-butoxybenzoate
CID 9492270
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide (CID 60689284) is 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide is CCCCN(CCO)CC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide?
The InChIKey is OSPTTXVMCFVCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-2-3-6-16(8-9-18)11-13(19)17-7-4-5-12(10-17)14(15)20/h12,18H,2-11H2,1H3,(H2,15,20).
What are the key properties of 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide?
1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 60689284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).