(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one

C13H20N4O — CID 125424778

IUPAC(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one
SMILESCn1ccnc1[C@@H]1[C@@H](CN)CCC(=O)N1C1CC1
InChIInChI=1S/C13H20N4O/c1-16-7-6-15-13(16)12-9(8-14)2-5-11(18)17(12)10-3-4-10/h6-7,9-10,12H,2-5,8,14H2,1H3/t9-,12+/m1/s1
InChIKeyWNKAFLHNJLTKGO-SKDRFNHKSA-N
MW248.33 g/mol
LogP0.82
Rot. Bonds3

About (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one

(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one (PubChem CID 125424778) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one
PubChem CID125424778
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one
SMILESCn1ccnc1[C@@H]1[C@@H](CN)CCC(=O)N1C1CC1
InChIInChI=1S/C13H20N4O/c1-16-7-6-15-13(16)12-9(8-14)2-5-11(18)17(12)10-3-4-10/h6-7,9-10,12H,2-5,8,14H2,1H3/t9-,12+/m1/s1
InChIKeyWNKAFLHNJLTKGO-SKDRFNHKSA-N
XLogP0.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
N-(dicyclopropylmethyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53572946
N-(dicyclopropylmethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53582451
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
(4aS*,8aR*)-6-(1H-imidazol-2-ylmethyl)-1-isobutyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56906800
2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169
2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
1-acetyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide
CID 72150073
N-isopropyl-4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinecarboxamide
CID 72866493
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
2-(Cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890498

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one (CID 125424778) is (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one is Cn1ccnc1[C@@H]1[C@@H](CN)CCC(=O)N1C1CC1.
What is the InChIKey of (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one?
The InChIKey is WNKAFLHNJLTKGO-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-7-6-15-13(16)12-9(8-14)2-5-11(18)17(12)10-3-4-10/h6-7,9-10,12H,2-5,8,14H2,1H3/t9-,12+/m1/s1.
What are the key properties of (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one?
(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one is sourced from PubChem (CID 125424778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).