N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide

C25H30N4O3 — CID 54841571

IUPACN-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)cccc1NC(=O)C1CC1
InChIInChI=1S/C25H30N4O3/c1-17-21(6-5-7-22(17)28-24(31)18-8-9-18)27-23(30)16-26-20-12-10-19(11-13-20)25(32)29-14-3-2-4-15-29/h5-7,10-13,18,26H,2-4,8-9,14-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyALBUTHHWGVNWHU-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.02
Rot. Bonds7

About N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide

N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 54841571) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID54841571
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)cccc1NC(=O)C1CC1
InChIInChI=1S/C25H30N4O3/c1-17-21(6-5-7-22(17)28-24(31)18-8-9-18)27-23(30)16-26-20-12-10-19(11-13-20)25(32)29-14-3-2-4-15-29/h5-7,10-13,18,26H,2-4,8-9,14-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyALBUTHHWGVNWHU-UHFFFAOYSA-N
XLogP4.02
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54833905
N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841043
N-(2,3-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841651
2-[4-(azepane-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 54834934
N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835242
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
4-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836486
N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841570

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide (CID 54841571) is N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide is Cc1c(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is ALBUTHHWGVNWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-21(6-5-7-22(17)28-24(31)18-8-9-18)27-23(30)16-26-20-12-10-19(11-13-20)25(32)29-14-3-2-4-15-29/h5-7,10-13,18,26H,2-4,8-9,14-16H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54841571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).