N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide

C21H32N4O2 — CID 17491782

IUPACN-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide
SMILESCN(CC(=O)N(C)CC(=O)NC1CC1)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C21H32N4O2/c1-23(16-21(27)24(2)15-20(26)22-18-10-11-18)14-17-8-4-5-9-19(17)25-12-6-3-7-13-25/h4-5,8-9,18H,3,6-7,10-16H2,1-2H3,(H,22,26)
InChIKeyBCLFQQMAFRDEKI-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.85
Rot. Bonds8

About N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide

N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide (PubChem CID 17491782) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide
PubChem CID17491782
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide
SMILESCN(CC(=O)N(C)CC(=O)NC1CC1)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C21H32N4O2/c1-23(16-21(27)24(2)15-20(26)22-18-10-11-18)14-17-8-4-5-9-19(17)25-12-6-3-7-13-25/h4-5,8-9,18H,3,6-7,10-16H2,1-2H3,(H,22,26)
InChIKeyBCLFQQMAFRDEKI-UHFFFAOYSA-N
XLogP1.85
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46523779
N-(2,6-dimethylphenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetamide
CID 17498094
3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 87003169
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide
CID 26685999
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone
CID 27101948
1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea
CID 166243112
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
CID 25349530
2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 9297873
N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide
CID 40798319

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide (CID 17491782) is N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide is CN(CC(=O)N(C)CC(=O)NC1CC1)Cc1ccccc1N1CCCCC1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide?
The InChIKey is BCLFQQMAFRDEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-23(16-21(27)24(2)15-20(26)22-18-10-11-18)14-17-8-4-5-9-19(17)25-12-6-3-7-13-25/h4-5,8-9,18H,3,6-7,10-16H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide has a molecular weight of 372.51 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 17491782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).