N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide

C22H26N6O — CID 118173523

IUPACN-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1
InChIInChI=1S/C22H26N6O/c1-2-22(29)24-19-12-18(13-23-14-19)17-8-10-27(11-9-17)15-20-16-28(26-25-20)21-6-4-3-5-7-21/h3-7,12-14,16-17H,2,8-11,15H2,1H3,(H,24,29)
InChIKeyZZNVVDVHLFOJFD-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.39
Rot. Bonds6

About N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide

N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide (PubChem CID 118173523) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide
PubChem CID118173523
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1
InChIInChI=1S/C22H26N6O/c1-2-22(29)24-19-12-18(13-23-14-19)17-8-10-27(11-9-17)15-20-16-28(26-25-20)21-6-4-3-5-7-21/h3-7,12-14,16-17H,2,8-11,15H2,1H3,(H,24,29)
InChIKeyZZNVVDVHLFOJFD-UHFFFAOYSA-N
XLogP3.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-5-[(sulfinoamino)methyl]pyridine
CID 155092225
1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine
CID 154817894
6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 118173370
6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1,3-benzothiazol-2-amine
CID 118173476
(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95610792
N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 86274331
1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine
CID 118168622
N-[3-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]phenyl]cyclopropanesulfonamide
CID 118166837
4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 56898354
(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602344
3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
CID 119924639

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide (CID 118173523) is N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1.
What is the InChIKey of N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide?
The InChIKey is ZZNVVDVHLFOJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-22(29)24-19-12-18(13-23-14-19)17-8-10-27(11-9-17)15-20-16-28(26-25-20)21-6-4-3-5-7-21/h3-7,12-14,16-17H,2,8-11,15H2,1H3,(H,24,29).
What are the key properties of N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide?
N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide has a molecular weight of 390.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 118173523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).