1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide

C19H32N6O2 — CID 125435284

IUPAC1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide
SMILESCc1cc(C[C@H](C)NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C19H32N6O2/c1-14(12-16-13-15(2)22-23-16)21-18(27)24-10-6-19(7-11-24,17(20)26)25-8-4-3-5-9-25/h13-14H,3-12H2,1-2H3,(H2,20,26)(H,21,27)(H,22,23)/t14-/m0/s1
InChIKeyMKSSSFVOBGZJJH-AWEZNQCLSA-N
MW376.51 g/mol
LogP1.16
Rot. Bonds5

About 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide

1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide (PubChem CID 125435284) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide
PubChem CID125435284
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide
SMILESCc1cc(C[C@H](C)NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C19H32N6O2/c1-14(12-16-13-15(2)22-23-16)21-18(27)24-10-6-19(7-11-24,17(20)26)25-8-4-3-5-9-25/h13-14H,3-12H2,1-2H3,(H2,20,26)(H,21,27)(H,22,23)/t14-/m0/s1
InChIKeyMKSSSFVOBGZJJH-AWEZNQCLSA-N
XLogP1.16
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide (CID 125435284) is 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide is Cc1cc(C[C@H](C)NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n[nH]1.
What is the InChIKey of 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide?
The InChIKey is MKSSSFVOBGZJJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-14(12-16-13-15(2)22-23-16)21-18(27)24-10-6-19(7-11-24,17(20)26)25-8-4-3-5-9-25/h13-14H,3-12H2,1-2H3,(H2,20,26)(H,21,27)(H,22,23)/t14-/m0/s1.
What are the key properties of 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide?
1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide has a molecular weight of 376.51 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 125435284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).