5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

C14H18N4O3 — CID 56876878

IUPAC5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCO[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N
InChIInChI=1S/C14H18N4O3/c1-21-12-7-18(5-4-9(12)15)13(19)8-2-3-10-11(6-8)17-14(20)16-10/h2-3,6,9,12H,4-5,7,15H2,1H3,(H2,16,17,20)/t9-,12+/m1/s1
InChIKeyIHDAZZIXDRRNKS-SKDRFNHKSA-N
MW290.32 g/mol
LogP0.04
Rot. Bonds2

About 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 56876878) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID56876878
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCO[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N
InChIInChI=1S/C14H18N4O3/c1-21-12-7-18(5-4-9(12)15)13(19)8-2-3-10-11(6-8)17-14(20)16-10/h2-3,6,9,12H,4-5,7,15H2,1H3,(H2,16,17,20)/t9-,12+/m1/s1
InChIKeyIHDAZZIXDRRNKS-SKDRFNHKSA-N
XLogP0.04
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99974461
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone
CID 56880493
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 166254479
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958
5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400197
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone
CID 133128635
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56872933
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (CID 56876878) is 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is CO[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N.
What is the InChIKey of 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IHDAZZIXDRRNKS-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-21-12-7-18(5-4-9(12)15)13(19)8-2-3-10-11(6-8)17-14(20)16-10/h2-3,6,9,12H,4-5,7,15H2,1H3,(H2,16,17,20)/t9-,12+/m1/s1.
What are the key properties of 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 290.32 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 56876878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).