N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide

C19H31N5O2 — CID 124736246

IUPACN-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide
SMILESCC(C)Cn1c(C(=O)NC2CC2)nnc1N1CCC[C@H](OCC2CC2)C1
InChIInChI=1S/C19H31N5O2/c1-13(2)10-24-17(18(25)20-15-7-8-15)21-22-19(24)23-9-3-4-16(11-23)26-12-14-5-6-14/h13-16H,3-12H2,1-2H3,(H,20,25)/t16-/m0/s1
InChIKeyOWDYRPSMCNFBOX-INIZCTEOSA-N
MW361.49 g/mol
LogP2.22
Rot. Bonds8

About N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide

N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide (PubChem CID 124736246) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide
PubChem CID124736246
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide
SMILESCC(C)Cn1c(C(=O)NC2CC2)nnc1N1CCC[C@H](OCC2CC2)C1
InChIInChI=1S/C19H31N5O2/c1-13(2)10-24-17(18(25)20-15-7-8-15)21-22-19(24)23-9-3-4-16(11-23)26-12-14-5-6-14/h13-16H,3-12H2,1-2H3,(H,20,25)/t16-/m0/s1
InChIKeyOWDYRPSMCNFBOX-INIZCTEOSA-N
XLogP2.22
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide (CID 124736246) is N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide is CC(C)Cn1c(C(=O)NC2CC2)nnc1N1CCC[C@H](OCC2CC2)C1.
What is the InChIKey of N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is OWDYRPSMCNFBOX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-13(2)10-24-17(18(25)20-15-7-8-15)21-22-19(24)23-9-3-4-16(11-23)26-12-14-5-6-14/h13-16H,3-12H2,1-2H3,(H,20,25)/t16-/m0/s1.
What are the key properties of N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 124736246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).