N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide

C24H30N4O2 — CID 86958179

IUPACN-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCN1CCCC(N2CCN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)C1
InChIInChI=1S/C24H30N4O2/c1-26-13-5-8-22(18-26)27-14-16-28(17-15-27)24(30)20-9-11-21(12-10-20)25-23(29)19-6-3-2-4-7-19/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,29)
InChIKeyUBLSPAKKSYYVIU-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.79
Rot. Bonds4

About N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide

N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 86958179) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide
PubChem CID86958179
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCN1CCCC(N2CCN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)C1
InChIInChI=1S/C24H30N4O2/c1-26-13-5-8-22(18-26)27-14-16-28(17-15-27)24(30)20-9-11-21(12-10-20)25-23(29)19-6-3-2-4-7-19/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,29)
InChIKeyUBLSPAKKSYYVIU-UHFFFAOYSA-N
XLogP2.79
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea
CID 86958381
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 86958237
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
(4-anilino-3-nitrophenyl)-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone
CID 86958345
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 11164840
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115249

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide (CID 86958179) is N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide is CN1CCCC(N2CCN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)C1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is UBLSPAKKSYYVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-26-13-5-8-22(18-26)27-14-16-28(17-15-27)24(30)20-9-11-21(12-10-20)25-23(29)19-6-3-2-4-7-19/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,29).
What are the key properties of N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide?
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 86958179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).