N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine

C18H27N5 — CID 164543483

IUPACN-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine
SMILESCNc1cc(CN2CCCC(NC)C2)cc(-n2cnc(C)c2)c1
InChIInChI=1S/C18H27N5/c1-14-10-23(13-21-14)18-8-15(7-17(9-18)20-3)11-22-6-4-5-16(12-22)19-2/h7-10,13,16,19-20H,4-6,11-12H2,1-3H3
InChIKeyUSCKLGNLUNNHKL-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.41
Rot. Bonds5

About N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine

N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine (PubChem CID 164543483) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine
PubChem CID164543483
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine
SMILESCNc1cc(CN2CCCC(NC)C2)cc(-n2cnc(C)c2)c1
InChIInChI=1S/C18H27N5/c1-14-10-23(13-21-14)18-8-15(7-17(9-18)20-3)11-22-6-4-5-16(12-22)19-2/h7-10,13,16,19-20H,4-6,11-12H2,1-3H3
InChIKeyUSCKLGNLUNNHKL-UHFFFAOYSA-N
XLogP2.41
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-phenoxypiperidine-1-carboxamide
CID 164543637
N-[3-[[3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-phenoxypiperidine-1-carboxamide
CID 171433789
tert-butyl N-[(3S)-1-[[3-(4-methylimidazol-1-yl)-5-[(5-methylpyridine-2-carbonyl)amino]phenyl]methyl]piperidin-3-yl]carbamate
CID 164543580
[(3S)-1-[[3-[[4-[4-(difluoromethyl)phenyl]pyridine-2-carbonyl]amino]-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid
CID 174225747
N-[3-(4-methylimidazol-1-yl)-5-[[(3S)-3-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]methyl]phenyl]-4-phenylpyridine-2-carboxamide
CID 164543112
tert-butyl N-[(3S)-1-[[3-[(4-bromo-1,3-thiazole-2-carbonyl)amino]-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate
CID 164543648
tert-butyl N-[(3S)-1-[[3-(4-methylimidazol-1-yl)-5-[(3-phenylbenzoyl)amino]phenyl]methyl]piperidin-3-yl]carbamate
CID 164543116
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-cyclohexylpyridine-2-carboxamide
CID 164543582
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 164543467
N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-phenoxypyridine-2-carboxamide
CID 171433783
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide
CID 164543526
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine (CID 164543483) is N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine is CNc1cc(CN2CCCC(NC)C2)cc(-n2cnc(C)c2)c1.
What is the InChIKey of N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine?
The InChIKey is USCKLGNLUNNHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-14-10-23(13-21-14)18-8-15(7-17(9-18)20-3)11-22-6-4-5-16(12-22)19-2/h7-10,13,16,19-20H,4-6,11-12H2,1-3H3.
What are the key properties of N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine?
N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine has a molecular weight of 313.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[3-(methylamino)-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 164543483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).