N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide

C22H37N5O — CID 136514785

IUPACN-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NCc2ccccc2N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C22H37N5O/c1-23-22(28)17-27-14-8-19(9-15-27)24-16-18-6-4-5-7-21(18)26(3)20-10-12-25(2)13-11-20/h4-7,19-20,24H,8-17H2,1-3H3,(H,23,28)
InChIKeyUJHNIHHKHZJXBP-UHFFFAOYSA-N
MW387.57 g/mol
LogP1.52
Rot. Bonds7

About N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide

N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide (PubChem CID 136514785) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide
PubChem CID136514785
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC NameN-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NCc2ccccc2N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C22H37N5O/c1-23-22(28)17-27-14-8-19(9-15-27)24-16-18-6-4-5-7-21(18)26(3)20-10-12-25(2)13-11-20/h4-7,19-20,24H,8-17H2,1-3H3,(H,23,28)
InChIKeyUJHNIHHKHZJXBP-UHFFFAOYSA-N
XLogP1.52
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one
CID 165156803
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554
N-[2-(2-aminoethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 63782695
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136
N-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43692186
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide (CID 136514785) is N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(NCc2ccccc2N(C)C2CCN(C)CC2)CC1.
What is the InChIKey of N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide?
The InChIKey is UJHNIHHKHZJXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O/c1-23-22(28)17-27-14-8-19(9-15-27)24-16-18-6-4-5-7-21(18)26(3)20-10-12-25(2)13-11-20/h4-7,19-20,24H,8-17H2,1-3H3,(H,23,28).
What are the key properties of N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide has a molecular weight of 387.57 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 136514785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).