[4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

C17H26N4O — CID 123219834

IUPAC[4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(C3CCNCC3N)cc2)CC1
InChIInChI=1S/C17H26N4O/c1-20-8-10-21(11-9-20)17(22)14-4-2-13(3-5-14)15-6-7-19-12-16(15)18/h2-5,15-16,19H,6-12,18H2,1H3
InChIKeyJNJDDHWWTIVCAN-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.48
Rot. Bonds2

About [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

[4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 123219834) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID123219834
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(C3CCNCC3N)cc2)CC1
InChIInChI=1S/C17H26N4O/c1-20-8-10-21(11-9-20)17(22)14-4-2-13(3-5-14)15-6-7-19-12-16(15)18/h2-5,15-16,19H,6-12,18H2,1H3
InChIKeyJNJDDHWWTIVCAN-UHFFFAOYSA-N
XLogP0.48
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[4-(3-aminopiperidin-4-yl)benzoyl]piperazine-1-carboxylate
CID 134321946
1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
CID 165483276
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
CID 56887195
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
4-(3-ethylpiperidin-4-yl)benzamide
CID 175844110
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
4-(4-methylpiperidin-3-yl)benzoic acid
CID 165482617
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
tert-butyl 4-[4-(3-amino-1-azaspiro[5.10]hexadecan-4-yl)benzoyl]piperazine-1-carboxylate
CID 139435400

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 123219834) is [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(C3CCNCC3N)cc2)CC1.
What is the InChIKey of [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is JNJDDHWWTIVCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-20-8-10-21(11-9-20)17(22)14-4-2-13(3-5-14)15-6-7-19-12-16(15)18/h2-5,15-16,19H,6-12,18H2,1H3.
What are the key properties of [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 123219834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).