N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide

C19H30N4O — CID 154793256

IUPACN-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2CCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C19H30N4O/c1-15(24)21-17-5-3-16(4-6-17)13-20-18-7-12-23(14-18)19-8-10-22(2)11-9-19/h3-6,18-20H,7-14H2,1-2H3,(H,21,24)
InChIKeyDYBIMWCHSOBGJK-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.90
Rot. Bonds5

About N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide

N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide (PubChem CID 154793256) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide
PubChem CID154793256
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2CCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C19H30N4O/c1-15(24)21-17-5-3-16(4-6-17)13-20-18-7-12-23(14-18)19-8-10-22(2)11-9-19/h3-6,18-20H,7-14H2,1-2H3,(H,21,24)
InChIKeyDYBIMWCHSOBGJK-UHFFFAOYSA-N
XLogP1.90
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzoic acid
CID 55049267
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
1-cyclopropyl-N-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-amine
CID 103437727
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 42193726
N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide
CID 97079220
N-[4-[[[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]amino]methyl]phenyl]acetamide
CID 71907092
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 129366905
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide (CID 154793256) is N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC2CCN(C3CCN(C)CC3)C2)cc1.
What is the InChIKey of N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide?
The InChIKey is DYBIMWCHSOBGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15(24)21-17-5-3-16(4-6-17)13-20-18-7-12-23(14-18)19-8-10-22(2)11-9-19/h3-6,18-20H,7-14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide has a molecular weight of 330.48 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 154793256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).