N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine

C21H33N7 — CID 97277170

IUPACN,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccnc1[C@H]1CCCN(c2nccnc2N2CCCC2)C1
InChIInChI=1S/C21H33N7/c1-25(2)11-6-15-27-16-10-24-19(27)18-7-5-14-28(17-18)21-20(22-8-9-23-21)26-12-3-4-13-26/h8-10,16,18H,3-7,11-15,17H2,1-2H3/t18-/m0/s1
InChIKeyHSYQQMUAWVBRSF-SFHVURJKSA-N
MW383.54 g/mol
LogP2.61
Rot. Bonds7

About N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine

N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine (PubChem CID 97277170) has the molecular formula C21H33N7 and a molecular weight of 383.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
PubChem CID97277170
Molecular FormulaC21H33N7
Molecular Weight383.54 g/mol
Exact Mass383.28
IUPAC NameN,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccnc1[C@H]1CCCN(c2nccnc2N2CCCC2)C1
InChIInChI=1S/C21H33N7/c1-25(2)11-6-15-27-16-10-24-19(27)18-7-5-14-28(17-18)21-20(22-8-9-23-21)26-12-3-4-13-26/h8-10,16,18H,3-7,11-15,17H2,1-2H3/t18-/m0/s1
InChIKeyHSYQQMUAWVBRSF-SFHVURJKSA-N
XLogP2.61
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
CID 97192145
N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97209396
1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 97274758
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72874438
4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 97273146
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72940306
N,N-dimethyl-3-[2-[1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72838131
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318
N,N-dimethyl-2-[2-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72854865

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine (CID 97277170) is N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine is CN(C)CCCn1ccnc1[C@H]1CCCN(c2nccnc2N2CCCC2)C1.
What is the InChIKey of N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
The InChIKey is HSYQQMUAWVBRSF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N7/c1-25(2)11-6-15-27-16-10-24-19(27)18-7-5-14-28(17-18)21-20(22-8-9-23-21)26-12-3-4-13-26/h8-10,16,18H,3-7,11-15,17H2,1-2H3/t18-/m0/s1.
What are the key properties of N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine has a molecular weight of 383.54 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 97277170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).