N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide

C20H32N4O — CID 56890289

IUPACN,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(C2CCCN(CC(=O)N(C)C)C2)CC1
InChIInChI=1S/C20H32N4O/c1-17-7-4-5-9-19(17)24-13-11-23(12-14-24)18-8-6-10-22(15-18)16-20(25)21(2)3/h4-5,7,9,18H,6,8,10-16H2,1-3H3
InChIKeyKSRXFSWNODPPSA-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.67
Rot. Bonds4

About N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide

N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide (PubChem CID 56890289) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
PubChem CID56890289
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(C2CCCN(CC(=O)N(C)C)C2)CC1
InChIInChI=1S/C20H32N4O/c1-17-7-4-5-9-19(17)24-13-11-23(12-14-24)18-8-6-10-22(15-18)16-20(25)21(2)3/h4-5,7,9,18H,6,8,10-16H2,1-3H3
InChIKeyKSRXFSWNODPPSA-UHFFFAOYSA-N
XLogP1.67
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide
CID 95713260
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 95726698
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
2-[4-[1-(2-chlorophenyl)piperidin-4-yl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 131936497
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
1-[4-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 45208229
1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-2-propoxyethanone
CID 95714921
[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
CID 45233381
cyclopenten-1-yl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 26394595
2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 45249761
(4-methoxyphenyl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42855201

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide (CID 56890289) is N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide is Cc1ccccc1N1CCN(C2CCCN(CC(=O)N(C)C)C2)CC1.
What is the InChIKey of N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide?
The InChIKey is KSRXFSWNODPPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-17-7-4-5-9-19(17)24-13-11-23(12-14-24)18-8-6-10-22(15-18)16-20(25)21(2)3/h4-5,7,9,18H,6,8,10-16H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide?
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 56890289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).