[1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C19H29N5O3 — CID 56869058

IUPAC[1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ncc[nH]1)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C19H29N5O3/c25-18(23-10-12-27-13-11-23)15-2-1-7-24(14-15)16-3-8-22(9-4-16)19(26)17-20-5-6-21-17/h5-6,15-16H,1-4,7-14H2,(H,20,21)
InChIKeyBGFXBLKVBBLPFM-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.59
Rot. Bonds3

About [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56869058) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID56869058
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name[1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ncc[nH]1)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C19H29N5O3/c25-18(23-10-12-27-13-11-23)15-2-1-7-24(14-15)16-3-8-22(9-4-16)19(26)17-20-5-6-21-17/h5-6,15-16H,1-4,7-14H2,(H,20,21)
InChIKeyBGFXBLKVBBLPFM-UHFFFAOYSA-N
XLogP0.59
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 56869058) is [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C(c1ncc[nH]1)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BGFXBLKVBBLPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c25-18(23-10-12-27-13-11-23)15-2-1-7-24(14-15)16-3-8-22(9-4-16)19(26)17-20-5-6-21-17/h5-6,15-16H,1-4,7-14H2,(H,20,21).
What are the key properties of [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 375.47 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56869058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).