(3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C16H26N4O2 — CID 164633301

IUPAC(3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1cnc(CN2CCC(CNC(=O)[C@H]3CCOC3)CC2)[nH]1
InChIInChI=1S/C16H26N4O2/c1-12-8-17-15(19-12)10-20-5-2-13(3-6-20)9-18-16(21)14-4-7-22-11-14/h8,13-14H,2-7,9-11H2,1H3,(H,17,19)(H,18,21)/t14-/m0/s1
InChIKeyFZJOSFJXWPQAQS-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.08
Rot. Bonds5

About (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

(3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 164633301) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID164633301
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1cnc(CN2CCC(CNC(=O)[C@H]3CCOC3)CC2)[nH]1
InChIInChI=1S/C16H26N4O2/c1-12-8-17-15(19-12)10-20-5-2-13(3-6-20)9-18-16(21)14-4-7-22-11-14/h8,13-14H,2-7,9-11H2,1H3,(H,17,19)(H,18,21)/t14-/m0/s1
InChIKeyFZJOSFJXWPQAQS-AWEZNQCLSA-N
XLogP1.08
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 164633301) is (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is Cc1cnc(CN2CCC(CNC(=O)[C@H]3CCOC3)CC2)[nH]1.
What is the InChIKey of (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is FZJOSFJXWPQAQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-8-17-15(19-12)10-20-5-2-13(3-6-20)9-18-16(21)14-4-7-22-11-14/h8,13-14H,2-7,9-11H2,1H3,(H,17,19)(H,18,21)/t14-/m0/s1.
What are the key properties of (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
(3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 164633301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).