N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C23H32N6O — CID 70785258

IUPACN-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)C1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C23H32N6O/c1-27(18-21-15-25-10-11-26-21)23(30)20-3-2-12-29(17-20)22-6-13-28(14-7-22)16-19-4-8-24-9-5-19/h4-5,8-11,15,20,22H,2-3,6-7,12-14,16-18H2,1H3
InChIKeyQBUFIIAUJAEERJ-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.21
Rot. Bonds6

About N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 70785258) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID70785258
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC NameN-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)C1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C23H32N6O/c1-27(18-21-15-25-10-11-26-21)23(30)20-3-2-12-29(17-20)22-6-13-28(14-7-22)16-19-4-8-24-9-5-19/h4-5,8-11,15,20,22H,2-3,6-7,12-14,16-18H2,1H3
InChIKeyQBUFIIAUJAEERJ-UHFFFAOYSA-N
XLogP2.21
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 96580639
(3R)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557690
(3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95550513
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96579526
(3R)-N,N-diethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95539498
(3S)-N-(cyclopropylmethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571064
N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56864333
(3S)-N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95463543
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70710902
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 70785258) is N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is CN(Cc1cnccn1)C(=O)C1CCCN(C2CCN(Cc3ccncc3)CC2)C1.
What is the InChIKey of N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is QBUFIIAUJAEERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-27(18-21-15-25-10-11-26-21)23(30)20-3-2-12-29(17-20)22-6-13-28(14-7-22)16-19-4-8-24-9-5-19/h4-5,8-11,15,20,22H,2-3,6-7,12-14,16-18H2,1H3.
What are the key properties of N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 70785258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).