N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide

C17H34N4O — CID 96520406

IUPACN-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
SMILESCCN1CCN(C[C@H](C)CNC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C17H34N4O/c1-3-19-10-12-20(13-11-19)15-16(2)14-18-17(22)21-8-6-4-5-7-9-21/h16H,3-15H2,1-2H3,(H,18,22)/t16-/m1/s1
InChIKeyYIDSQXOSUYPOOQ-MRXNPFEDSA-N
MW310.49 g/mol
LogP1.85
Rot. Bonds5

About N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide

N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide (PubChem CID 96520406) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
PubChem CID96520406
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
SMILESCCN1CCN(C[C@H](C)CNC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C17H34N4O/c1-3-19-10-12-20(13-11-19)15-16(2)14-18-17(22)21-8-6-4-5-7-9-21/h16H,3-15H2,1-2H3,(H,18,22)/t16-/m1/s1
InChIKeyYIDSQXOSUYPOOQ-MRXNPFEDSA-N
XLogP1.85
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide
CID 95967582
(2R)-N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylmorpholine-4-carboxamide
CID 95967596
N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
CID 115302691
1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119902544
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111446390
N-[2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 115581577
1-cycloheptyl-3-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylurea
CID 95967578
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
(1S,6R)-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100859845
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide
CID 71985639

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide?
The IUPAC name of N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide (CID 96520406) is N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide?
The canonical SMILES for N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide is CCN1CCN(C[C@H](C)CNC(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide?
The InChIKey is YIDSQXOSUYPOOQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H34N4O/c1-3-19-10-12-20(13-11-19)15-16(2)14-18-17(22)21-8-6-4-5-7-9-21/h16H,3-15H2,1-2H3,(H,18,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide?
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide is sourced from PubChem (CID 96520406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).