(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione

C20H23N5O3 — CID 56705943

IUPAC(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
SMILESO=C1C[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)NC(=O)N1
InChIInChI=1S/C20H23N5O3/c26-18-12-17(21-20(28)22-18)19(27)25-8-6-14(7-9-25)16-11-15(23-24-16)10-13-4-2-1-3-5-13/h1-5,11,14,17H,6-10,12H2,(H,23,24)(H2,21,22,26,28)/t17-/m1/s1
InChIKeyMHUYWVWXEGQDDZ-QGZVFWFLSA-N
MW381.44 g/mol
LogP1.30
Rot. Bonds4

About (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione

(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione (PubChem CID 56705943) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
PubChem CID56705943
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
SMILESO=C1C[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)NC(=O)N1
InChIInChI=1S/C20H23N5O3/c26-18-12-17(21-20(28)22-18)19(27)25-8-6-14(7-9-25)16-11-15(23-24-16)10-13-4-2-1-3-5-13/h1-5,11,14,17H,6-10,12H2,(H,23,24)(H2,21,22,26,28)/t17-/m1/s1
InChIKeyMHUYWVWXEGQDDZ-QGZVFWFLSA-N
XLogP1.30
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione?
The IUPAC name of (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione (CID 56705943) is (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione is O=C1C[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)NC(=O)N1.
What is the InChIKey of (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione?
The InChIKey is MHUYWVWXEGQDDZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-18-12-17(21-20(28)22-18)19(27)25-8-6-14(7-9-25)16-11-15(23-24-16)10-13-4-2-1-3-5-13/h1-5,11,14,17H,6-10,12H2,(H,23,24)(H2,21,22,26,28)/t17-/m1/s1.
What are the key properties of (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione?
(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione has a molecular weight of 381.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 56705943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).