N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

C19H32N6O — CID 53165875

IUPACN-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1
InChIInChI=1S/C19H32N6O/c1-4-15(2)22-19(26)16-5-7-24(8-6-16)17-13-20-14-21-18(17)25-11-9-23(3)10-12-25/h13-16H,4-12H2,1-3H3,(H,22,26)
InChIKeyVXQRVFKIFYCLII-UHFFFAOYSA-N
MW360.51 g/mol
LogP1.36
Rot. Bonds5

About N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide (PubChem CID 53165875) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
PubChem CID53165875
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC NameN-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1
InChIInChI=1S/C19H32N6O/c1-4-15(2)22-19(26)16-5-7-24(8-6-16)17-13-20-14-21-18(17)25-11-9-23(3)10-12-25/h13-16H,4-12H2,1-3H3,(H,22,26)
InChIKeyVXQRVFKIFYCLII-UHFFFAOYSA-N
XLogP1.36
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-Dimethyl-2-piperazin-1-ylpteridin-7-one
CID 3233003
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
8-Cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one
CID 3233539
8-Cyclopropyl-2-piperazin-1-ylpteridin-7-one
CID 3234693
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
3,3-dimethyl-N~1~-(2-piperidino-5-pyrimidinyl)butanamide
CID 53164677
5-(4-{[1,4'-Bipiperidine]-1'-carbonyl}piperidin-1-YL)-N,N-dimethylpyrimidin-4-amine
CID 53165528
N~4~-cyclopentyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165784
1-N-cyclopropyl-4-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 53501342
1-pyrimidin-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501839
1-butanoyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501867
8-(5-Methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 98767055

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide (CID 53165875) is N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1.
What is the InChIKey of N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The InChIKey is VXQRVFKIFYCLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-4-15(2)22-19(26)16-5-7-24(8-6-16)17-13-20-14-21-18(17)25-11-9-23(3)10-12-25/h13-16H,4-12H2,1-3H3,(H,22,26).
What are the key properties of N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide has a molecular weight of 360.51 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53165875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).