(2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone

C17H26N4O — CID 23610433

IUPAC(2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(N3CCCCC3)ccc2N)CC1
InChIInChI=1S/C17H26N4O/c1-19-9-11-21(12-10-19)17(22)15-13-14(5-6-16(15)18)20-7-3-2-4-8-20/h5-6,13H,2-4,7-12,18H2,1H3
InChIKeyJWHXHXQWKKUBHW-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.65
Rot. Bonds2

About (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone

(2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 23610433) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID23610433
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(N3CCCCC3)ccc2N)CC1
InChIInChI=1S/C17H26N4O/c1-19-9-11-21(12-10-19)17(22)15-13-14(5-6-16(15)18)20-7-3-2-4-8-20/h5-6,13H,2-4,7-12,18H2,1H3
InChIKeyJWHXHXQWKKUBHW-UHFFFAOYSA-N
XLogP1.65
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(azepan-1-yl)benzamide
CID 61313055
(2-chloro-4-pyrrolidin-1-ylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 91800553
(2-amino-5-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 54878519
2-amino-1-(2-amino-5-pyrrolidin-1-ylphenyl)ethanone
CID 170861013
(3-aminonaphthalen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 61207820
2-amino-5-piperidin-1-ylbenzenecarbothiohydrazide
CID 122525160
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
(2-amino-5-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1254100
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
2-amino-5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzoic acid
CID 139774630
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone (CID 23610433) is (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(N3CCCCC3)ccc2N)CC1.
What is the InChIKey of (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is JWHXHXQWKKUBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-19-9-11-21(12-10-19)17(22)15-13-14(5-6-16(15)18)20-7-3-2-4-8-20/h5-6,13H,2-4,7-12,18H2,1H3.
What are the key properties of (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
(2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 23610433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).