N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide

C22H34N6O2 — CID 95502447

IUPACN,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cncc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C22H34N6O2/c1-25(2)22(30)19-14-23-15-20(24-19)26-12-7-18(8-13-26)28-11-5-6-17(16-28)21(29)27-9-3-4-10-27/h14-15,17-18H,3-13,16H2,1-2H3/t17-/m0/s1
InChIKeyZDKGEYQGARQUMQ-KRWDZBQOSA-N
MW414.55 g/mol
LogP1.48
Rot. Bonds4

About N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide

N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 95502447) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID95502447
Molecular FormulaC22H34N6O2
Molecular Weight414.55 g/mol
Exact Mass414.27
IUPAC NameN,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cncc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C22H34N6O2/c1-25(2)22(30)19-14-23-15-20(24-19)26-12-7-18(8-13-26)28-11-5-6-17(16-28)21(29)27-9-3-4-10-27/h14-15,17-18H,3-13,16H2,1-2H3/t17-/m0/s1
InChIKeyZDKGEYQGARQUMQ-KRWDZBQOSA-N
XLogP1.48
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740
[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552222
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
[(3S)-1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95563918
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95557966
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
[(3S)-1-[1-(2-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95551659
[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56866262
(3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 86283568

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide (CID 95502447) is N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide is CN(C)C(=O)c1cncc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1.
What is the InChIKey of N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is ZDKGEYQGARQUMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-25(2)22(30)19-14-23-15-20(24-19)26-12-7-18(8-13-26)28-11-5-6-17(16-28)21(29)27-9-3-4-10-27/h14-15,17-18H,3-13,16H2,1-2H3/t17-/m0/s1.
What are the key properties of N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide?
N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 95502447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).