N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide

C20H32N4O — CID 126450581

IUPACN-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CN1CCN(C(=O)NC[C@@]2(C)CCN(C)C2)CC1
InChIInChI=1S/C20H32N4O/c1-17-6-4-5-7-18(17)14-23-10-12-24(13-11-23)19(25)21-15-20(2)8-9-22(3)16-20/h4-7H,8-16H2,1-3H3,(H,21,25)/t20-/m1/s1
InChIKeyHYSODEXFMZFNCW-HXUWFJFHSA-N
MW344.50 g/mol
LogP2.16
Rot. Bonds4

About N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide

N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 126450581) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID126450581
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CN1CCN(C(=O)NC[C@@]2(C)CCN(C)C2)CC1
InChIInChI=1S/C20H32N4O/c1-17-6-4-5-7-18(17)14-23-10-12-24(13-11-23)19(25)21-15-20(2)8-9-22(3)16-20/h4-7H,8-16H2,1-3H3,(H,21,25)/t20-/m1/s1
InChIKeyHYSODEXFMZFNCW-HXUWFJFHSA-N
XLogP2.16
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
4-(2,4-dimethylphenyl)-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126435166
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 126451846
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide
CID 119060645
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 120772614
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide (CID 126450581) is N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccccc1CN1CCN(C(=O)NC[C@@]2(C)CCN(C)C2)CC1.
What is the InChIKey of N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is HYSODEXFMZFNCW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H32N4O/c1-17-6-4-5-7-18(17)14-23-10-12-24(13-11-23)19(25)21-15-20(2)8-9-22(3)16-20/h4-7H,8-16H2,1-3H3,(H,21,25)/t20-/m1/s1.
What are the key properties of N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 126450581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).