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

C21H34N4O — CID 95713260

IUPACN,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide
SMILESCc1ccccc1N1CCN([C@H]2CCCN(CCC(=O)N(C)C)C2)CC1
InChIInChI=1S/C21H34N4O/c1-18-7-4-5-9-20(18)25-15-13-24(14-16-25)19-8-6-11-23(17-19)12-10-21(26)22(2)3/h4-5,7,9,19H,6,8,10-17H2,1-3H3/t19-/m0/s1
InChIKeyNXESVHRKOZTYSX-IBGZPJMESA-N
MW358.53 g/mol
LogP2.06
Rot. Bonds5

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

N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide (PubChem CID 95713260) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide
PubChem CID95713260
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide
SMILESCc1ccccc1N1CCN([C@H]2CCCN(CCC(=O)N(C)C)C2)CC1
InChIInChI=1S/C21H34N4O/c1-18-7-4-5-9-20(18)25-15-13-24(14-16-25)19-8-6-11-23(17-19)12-10-21(26)22(2)3/h4-5,7,9,19H,6,8,10-17H2,1-3H3/t19-/m0/s1
InChIKeyNXESVHRKOZTYSX-IBGZPJMESA-N
XLogP2.06
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
CID 56890289
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide
CID 91835004
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
1-[4-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 45208229
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-2-propoxyethanone
CID 95714921
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
[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
2-[4-[1-(2-chlorophenyl)piperidin-4-yl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 131936497

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide (CID 95713260) is N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide is Cc1ccccc1N1CCN([C@H]2CCCN(CCC(=O)N(C)C)C2)CC1.
What is the InChIKey of N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide?
The InChIKey is NXESVHRKOZTYSX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H34N4O/c1-18-7-4-5-9-20(18)25-15-13-24(14-16-25)19-8-6-11-23(17-19)12-10-21(26)22(2)3/h4-5,7,9,19H,6,8,10-17H2,1-3H3/t19-/m0/s1.
What are the key properties of N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide?
N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide has a molecular weight of 358.53 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 95713260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).