2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide

C15H28N4O2 — CID 60801064

IUPAC2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(CC(=O)N1CCCCCC1)C1CCNCC1
InChIInChI=1S/C15H28N4O2/c16-14(20)11-19(13-5-7-17-8-6-13)12-15(21)18-9-3-1-2-4-10-18/h13,17H,1-12H2,(H2,16,20)
InChIKeyIQDVRGPKLSAMRM-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.07
Rot. Bonds5

About 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide

2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide (PubChem CID 60801064) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
PubChem CID60801064
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(CC(=O)N1CCCCCC1)C1CCNCC1
InChIInChI=1S/C15H28N4O2/c16-14(20)11-19(13-5-7-17-8-6-13)12-15(21)18-9-3-1-2-4-10-18/h13,17H,1-12H2,(H2,16,20)
InChIKeyIQDVRGPKLSAMRM-UHFFFAOYSA-N
XLogP-0.07
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N-piperidin-4-ylpiperidine-1-carboxamide
CID 79155022
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride
CID 138040175
2-[(1-hydroxycyclohexyl)methyl-piperidin-4-ylamino]acetamide
CID 65213870
2-[azepan-1-ylsulfonyl(piperidin-4-yl)amino]acetamide
CID 60801061
1-(azepan-1-yl)-2-[methyl(pyrrolidin-3-yl)amino]ethanone;hydrochloride
CID 119922846
1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide
CID 63300440
2-[2-cyclopentylethyl(piperidin-4-yl)amino]acetamide
CID 114191603

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide (CID 60801064) is 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide is NC(=O)CN(CC(=O)N1CCCCCC1)C1CCNCC1.
What is the InChIKey of 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide?
The InChIKey is IQDVRGPKLSAMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c16-14(20)11-19(13-5-7-17-8-6-13)12-15(21)18-9-3-1-2-4-10-18/h13,17H,1-12H2,(H2,16,20).
What are the key properties of 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide?
2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide has a molecular weight of 296.42 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 60801064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).