(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one

C19H30N4O2 — CID 42214263

IUPAC(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one
SMILESO=C1N(CC2CC2)CCC[C@]1(O)CN1CCC(Cn2cccn2)CC1
InChIInChI=1S/C19H30N4O2/c24-18-19(25,7-1-9-22(18)13-16-3-4-16)15-21-11-5-17(6-12-21)14-23-10-2-8-20-23/h2,8,10,16-17,25H,1,3-7,9,11-15H2/t19-/m0/s1
InChIKeyZVHNHJDHGIHJIN-IBGZPJMESA-N
MW346.48 g/mol
LogP1.36
Rot. Bonds6

About (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one

(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one (PubChem CID 42214263) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one
PubChem CID42214263
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one
SMILESO=C1N(CC2CC2)CCC[C@]1(O)CN1CCC(Cn2cccn2)CC1
InChIInChI=1S/C19H30N4O2/c24-18-19(25,7-1-9-22(18)13-16-3-4-16)15-21-11-5-17(6-12-21)14-23-10-2-8-20-23/h2,8,10,16-17,25H,1,3-7,9,11-15H2/t19-/m0/s1
InChIKeyZVHNHJDHGIHJIN-IBGZPJMESA-N
XLogP1.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one?
The IUPAC name of (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one (CID 42214263) is (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one is O=C1N(CC2CC2)CCC[C@]1(O)CN1CCC(Cn2cccn2)CC1.
What is the InChIKey of (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one?
The InChIKey is ZVHNHJDHGIHJIN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N4O2/c24-18-19(25,7-1-9-22(18)13-16-3-4-16)15-21-11-5-17(6-12-21)14-23-10-2-8-20-23/h2,8,10,16-17,25H,1,3-7,9,11-15H2/t19-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one?
(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one has a molecular weight of 346.48 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 42214263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).