2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride

C20H33Cl2N3O — CID 119845098

IUPAC2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(CNC(=O)CNCC3CC3)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H31N3O.2ClH/c1-16-8-10-23(11-9-16)15-19-6-4-18(5-7-19)13-22-20(24)14-21-12-17-2-3-17;;/h4-7,16-17,21H,2-3,8-15H2,1H3,(H,22,24);2*1H
InChIKeyHEDCNTWXGIJOAD-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.38
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride (PubChem CID 119845098) has the molecular formula C20H33Cl2N3O and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
PubChem CID119845098
Molecular FormulaC20H33Cl2N3O
Molecular Weight402.41 g/mol
Exact Mass401.20
IUPAC Name2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(CNC(=O)CNCC3CC3)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H31N3O.2ClH/c1-16-8-10-23(11-9-16)15-19-6-4-18(5-7-19)13-22-20(24)14-21-12-17-2-3-17;;/h4-7,16-17,21H,2-3,8-15H2,1H3,(H,22,24);2*1H
InChIKeyHEDCNTWXGIJOAD-UHFFFAOYSA-N
XLogP3.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119901424
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4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845060
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CID 55650881
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
2-(cyclopropylmethylamino)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850882
3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120502841
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 38046570
4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 119701720

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride (CID 119845098) is 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride is CC1CCN(Cc2ccc(CNC(=O)CNCC3CC3)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride?
The InChIKey is HEDCNTWXGIJOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.2ClH/c1-16-8-10-23(11-9-16)15-19-6-4-18(5-7-19)13-22-20(24)14-21-12-17-2-3-17;;/h4-7,16-17,21H,2-3,8-15H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride has a molecular weight of 402.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119845098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).