(1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C18H25N7O — CID 72939623

IUPAC(1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)CC1
InChIInChI=1S/C18H25N7O/c19-18(5-6-18)17(26)24-8-3-13(4-9-24)16-22-21-15(25(16)14-1-2-14)11-23-10-7-20-12-23/h7,10,12-14H,1-6,8-9,11,19H2
InChIKeyPWYCKCJBFFPERK-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.06
Rot. Bonds5

About (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72939623) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72939623
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name(1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)CC1
InChIInChI=1S/C18H25N7O/c19-18(5-6-18)17(26)24-8-3-13(4-9-24)16-22-21-15(25(16)14-1-2-14)11-23-10-7-20-12-23/h7,10,12-14H,1-6,8-9,11,19H2
InChIKeyPWYCKCJBFFPERK-UHFFFAOYSA-N
XLogP1.06
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-Cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72918546
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 72149987
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
CID 72899496
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 86769639
1-[(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)carbonyl]cyclopropanamine
CID 72851669
N,N-dimethyl-3-(2-{1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3-piperidinyl}-1H-imidazol-1-yl)-1-propanamine
CID 72888327
[3-(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-3-oxopropyl]amine dihydrochloride
CID 72893405
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125443784
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylamino)butanamide
CID 132311168
N-[3-(1H-imidazol-1-yl)propyl]-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 42197612
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 72851930

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72939623) is (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is NC1(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is PWYCKCJBFFPERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c19-18(5-6-18)17(26)24-8-3-13(4-9-24)16-22-21-15(25(16)14-1-2-14)11-23-10-7-20-12-23/h7,10,12-14H,1-6,8-9,11,19H2.
What are the key properties of (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 355.45 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72939623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).