N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide

C14H26N4O2 — CID 64564001

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2CCCCCN2)CC1
InChIInChI=1S/C14H26N4O2/c15-13(19)10-18-8-5-11(6-9-18)17-14(20)12-4-2-1-3-7-16-12/h11-12,16H,1-10H2,(H2,15,19)(H,17,20)
InChIKeyDIFXELLHLGWBKD-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.42
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide (PubChem CID 64564001) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide
PubChem CID64564001
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2CCCCCN2)CC1
InChIInChI=1S/C14H26N4O2/c15-13(19)10-18-8-5-11(6-9-18)17-14(20)12-4-2-1-3-7-16-12/h11-12,16H,1-10H2,(H2,15,19)(H,17,20)
InChIKeyDIFXELLHLGWBKD-UHFFFAOYSA-N
XLogP-0.42
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 103813420
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(1-butylpiperidin-4-yl)azepane-2-carboxamide
CID 64561841
(2R)-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119841057
(2R)-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 93469163
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119840316
(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
N-[(4S)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-4-yl]pyrrolidine-2-carboxamide
CID 10423162
(2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119879117
(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
CID 103808776
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide (CID 64564001) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide is NC(=O)CN1CCC(NC(=O)C2CCCCCN2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide?
The InChIKey is DIFXELLHLGWBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c15-13(19)10-18-8-5-11(6-9-18)17-14(20)12-4-2-1-3-7-16-12/h11-12,16H,1-10H2,(H2,15,19)(H,17,20).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide has a molecular weight of 282.39 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide is sourced from PubChem (CID 64564001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).