N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide

C16H28N4O — CID 66411136

IUPACN-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESCCCn1cccc1CNC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C16H28N4O/c1-3-8-20-9-4-5-15(20)12-18-14-6-10-19(11-7-14)13-16(21)17-2/h4-5,9,14,18H,3,6-8,10-13H2,1-2H3,(H,17,21)
InChIKeyUKGVDVRRNAWFJP-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.20
Rot. Bonds7

About N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide

N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide (PubChem CID 66411136) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
PubChem CID66411136
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESCCCn1cccc1CNC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C16H28N4O/c1-3-8-20-9-4-5-15(20)12-18-14-6-10-19(11-7-14)13-16(21)17-2/h4-5,9,14,18H,3,6-8,10-13H2,1-2H3,(H,17,21)
InChIKeyUKGVDVRRNAWFJP-UHFFFAOYSA-N
XLogP1.20
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411363
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
CID 66412930
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
CID 66412732
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 62132229
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
CID 66401619
tert-butyl 3-[(1-propylpyrrol-2-yl)methylamino]piperidine-1-carboxylate
CID 107241480
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66401026

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide (CID 66411136) is N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide is CCCn1cccc1CNC1CCN(CC(=O)NC)CC1.
What is the InChIKey of N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is UKGVDVRRNAWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-8-20-9-4-5-15(20)12-18-14-6-10-19(11-7-14)13-16(21)17-2/h4-5,9,14,18H,3,6-8,10-13H2,1-2H3,(H,17,21).
What are the key properties of N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 66411136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).