[(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C20H33N5O2 — CID 95229566

IUPAC[(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1[nH]cnc1CN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C20H33N5O2/c1-16-19(22-15-21-16)14-23-7-4-18(5-8-23)25-6-2-3-17(13-25)20(26)24-9-11-27-12-10-24/h15,17-18H,2-14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyIAIBVBIXVZDDLS-KRWDZBQOSA-N
MW375.52 g/mol
LogP1.25
Rot. Bonds4

About [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 95229566) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID95229566
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name[(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1[nH]cnc1CN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C20H33N5O2/c1-16-19(22-15-21-16)14-23-7-4-18(5-8-23)25-6-2-3-17(13-25)20(26)24-9-11-27-12-10-24/h15,17-18H,2-14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyIAIBVBIXVZDDLS-KRWDZBQOSA-N
XLogP1.25
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 95229566) is [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is Cc1[nH]cnc1CN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IAIBVBIXVZDDLS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-16-19(22-15-21-16)14-23-7-4-18(5-8-23)25-6-2-3-17(13-25)20(26)24-9-11-27-12-10-24/h15,17-18H,2-14H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 375.52 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95229566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).