N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide

C14H23N5O — CID 106627060

IUPACN-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(CC1CCCCN1)C1CC1)n1cncn1
InChIInChI=1S/C14H23N5O/c1-11(19-10-15-9-17-19)14(20)18(13-5-6-13)8-12-4-2-3-7-16-12/h9-13,16H,2-8H2,1H3
InChIKeyRMAZASRYOSQRBJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.97
Rot. Bonds5

About N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide

N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 106627060) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID106627060
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(CC1CCCCN1)C1CC1)n1cncn1
InChIInChI=1S/C14H23N5O/c1-11(19-10-15-9-17-19)14(20)18(13-5-6-13)8-12-4-2-3-7-16-12/h9-13,16H,2-8H2,1H3
InChIKeyRMAZASRYOSQRBJ-UHFFFAOYSA-N
XLogP0.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106608720
N-cyclopropyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 104974023
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 54923886
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106629632
N-(piperidin-2-ylmethyl)-N-propyl-2-pyrazol-1-ylpropanamide
CID 106625660
(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
CID 129398896
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106607472
1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 63259105
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629707
N-cyclopropyl-3-imidazol-1-yl-N-(piperidin-2-ylmethyl)propanamide
CID 106627075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 106627060) is N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N(CC1CCCCN1)C1CC1)n1cncn1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RMAZASRYOSQRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(19-10-15-9-17-19)14(20)18(13-5-6-13)8-12-4-2-3-7-16-12/h9-13,16H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 106627060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).