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

C15H26N4O — CID 66411363

IUPAC2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESCCCn1cccc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H26N4O/c1-2-7-19-8-3-4-14(19)11-17-13-5-9-18(10-6-13)12-15(16)20/h3-4,8,13,17H,2,5-7,9-12H2,1H3,(H2,16,20)
InChIKeyDXKMPQNTPAWPEF-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.94
Rot. Bonds7

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

2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide (PubChem CID 66411363) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
PubChem CID66411363
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESCCCn1cccc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H26N4O/c1-2-7-19-8-3-4-14(19)11-17-13-5-9-18(10-6-13)12-15(16)20/h3-4,8,13,17H,2,5-7,9-12H2,1H3,(H2,16,20)
InChIKeyDXKMPQNTPAWPEF-UHFFFAOYSA-N
XLogP0.94
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136
2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 62132229
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-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide
CID 115761657
methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
CID 66401619
4-[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 65347580
N-[(1-propylpyrrol-2-yl)methyl]thiolan-3-amine
CID 103062608
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide (CID 66411363) is 2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide is CCCn1cccc1CNC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is DXKMPQNTPAWPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-7-19-8-3-4-14(19)11-17-13-5-9-18(10-6-13)12-15(16)20/h3-4,8,13,17H,2,5-7,9-12H2,1H3,(H2,16,20).
What are the key properties of 2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 66411363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).