N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine

C19H30N4S — CID 77098175

IUPACN-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCN(CCCc1nccn1C)Cc1ccc(CN2CCCCC2)s1
InChIInChI=1S/C19H30N4S/c1-21(11-6-7-19-20-10-14-22(19)2)15-17-8-9-18(24-17)16-23-12-4-3-5-13-23/h8-10,14H,3-7,11-13,15-16H2,1-2H3
InChIKeyHNTHAXJPGGNYCM-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.53
Rot. Bonds8

About N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine

N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 77098175) has the molecular formula C19H30N4S and a molecular weight of 346.54 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID77098175
Molecular FormulaC19H30N4S
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCN(CCCc1nccn1C)Cc1ccc(CN2CCCCC2)s1
InChIInChI=1S/C19H30N4S/c1-21(11-6-7-19-20-10-14-22(19)2)15-17-8-9-18(24-17)16-23-12-4-3-5-13-23/h8-10,14H,3-7,11-13,15-16H2,1-2H3
InChIKeyHNTHAXJPGGNYCM-UHFFFAOYSA-N
XLogP3.53
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine (CID 77098175) is N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine is CN(CCCc1nccn1C)Cc1ccc(CN2CCCCC2)s1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is HNTHAXJPGGNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4S/c1-21(11-6-7-19-20-10-14-22(19)2)15-17-8-9-18(24-17)16-23-12-4-3-5-13-23/h8-10,14H,3-7,11-13,15-16H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 346.54 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 77098175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).