N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide

C14H28N4O — CID 90447181

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C14H28N4O/c1-12-4-6-18(7-5-12)14(19)15-10-13-11-16(2)8-9-17(13)3/h12-13H,4-11H2,1-3H3,(H,15,19)
InChIKeyBVFHSRUJAPOZSA-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.67
Rot. Bonds2

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 90447181) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide
PubChem CID90447181
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C14H28N4O/c1-12-4-6-18(7-5-12)14(19)15-10-13-11-16(2)8-9-17(13)3/h12-13H,4-11H2,1-3H3,(H,15,19)
InChIKeyBVFHSRUJAPOZSA-UHFFFAOYSA-N
XLogP0.67
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide (CID 90447181) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCC2CN(C)CCN2C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is BVFHSRUJAPOZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-12-4-6-18(7-5-12)14(19)15-10-13-11-16(2)8-9-17(13)3/h12-13H,4-11H2,1-3H3,(H,15,19).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 90447181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).