N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide

C20H26N4O — CID 42346476

IUPACN-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)[C@@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C20H26N4O/c1-23(20(25)19-15-21-11-12-22-19)18-10-6-14-24(16-18)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14,16H2,1H3/t18-/m1/s1
InChIKeyVGOVHWCLKVQXLW-GOSISDBHSA-N
MW338.45 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide

N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 42346476) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID42346476
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)[C@@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C20H26N4O/c1-23(20(25)19-15-21-11-12-22-19)18-10-6-14-24(16-18)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14,16H2,1H3/t18-/m1/s1
InChIKeyVGOVHWCLKVQXLW-GOSISDBHSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide
CID 42095635
1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 42510266
N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95725795
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028
5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide
CID 45189074
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
methyl 3-[methyl-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 42245037
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 45229832

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide (CID 42346476) is N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide is CN(C(=O)c1cnccn1)[C@@H]1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is VGOVHWCLKVQXLW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(20(25)19-15-21-11-12-22-19)18-10-6-14-24(16-18)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14,16H2,1H3/t18-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide?
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 42346476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).