2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide

C19H30N4O — CID 119901424

IUPAC2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCN1CCN(Cc2ccc(CNC(=O)CNCC3CC3)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-22-8-10-23(11-9-22)15-18-6-4-17(5-7-18)13-21-19(24)14-20-12-16-2-3-16/h4-7,16,20H,2-3,8-15H2,1H3,(H,21,24)
InChIKeyGEWYVGTXJWZDKS-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.05
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 119901424) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID119901424
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCN1CCN(Cc2ccc(CNC(=O)CNCC3CC3)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-22-8-10-23(11-9-22)15-18-6-4-17(5-7-18)13-21-19(24)14-20-12-16-2-3-16/h4-7,16,20H,2-3,8-15H2,1H3,(H,21,24)
InChIKeyGEWYVGTXJWZDKS-UHFFFAOYSA-N
XLogP1.05
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
3-amino-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 119901440
4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 119701720
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea
CID 132965666
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
methyl 1-[N'-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253386
N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
CID 119723609

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (CID 119901424) is 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is CN1CCN(Cc2ccc(CNC(=O)CNCC3CC3)cc2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is GEWYVGTXJWZDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-22-8-10-23(11-9-22)15-18-6-4-17(5-7-18)13-21-19(24)14-20-12-16-2-3-16/h4-7,16,20H,2-3,8-15H2,1H3,(H,21,24).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 330.48 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 119901424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).