N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine

C19H32N6 — CID 128996776

IUPACN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCCN1CCC[C@@H](CN(C)CCCn2ccnc2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H32N6/c1-4-25-11-5-7-17(19(25)18-13-21-23(3)15-18)14-22(2)9-6-10-24-12-8-20-16-24/h8,12-13,15-17,19H,4-7,9-11,14H2,1-3H3/t17-,19+/m0/s1
InChIKeyKNBWDTGNQJKMPR-PKOBYXMFSA-N
MW344.51 g/mol
LogP2.41
Rot. Bonds8

About N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine

N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine (PubChem CID 128996776) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
PubChem CID128996776
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC NameN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCCN1CCC[C@@H](CN(C)CCCn2ccnc2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H32N6/c1-4-25-11-5-7-17(19(25)18-13-21-23(3)15-18)14-22(2)9-6-10-24-12-8-20-16-24/h8,12-13,15-17,19H,4-7,9-11,14H2,1-3H3/t17-,19+/m0/s1
InChIKeyKNBWDTGNQJKMPR-PKOBYXMFSA-N
XLogP2.41
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980559
1-[3-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine
CID 46980564
2-[(4-Methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
CID 56780377
3-(1-Methylpyrazol-4-yl)-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 72143149
3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 86769630
8-[(1-Methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396990
4-[4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]-6-(4-methyl-1H-pyrazol-1-yl)pyrimidine
CID 46994921
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine
CID 71857315
(2S,3R)-1-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97470964
1-[3-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride
CID 118741671
1-{1-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl}piperidine hydrochloride
CID 118741707
(3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine
CID 164631828

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine (CID 128996776) is N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine.
What is the SMILES notation for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The canonical SMILES for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine is CCN1CCC[C@@H](CN(C)CCCn2ccnc2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The InChIKey is KNBWDTGNQJKMPR-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H32N6/c1-4-25-11-5-7-17(19(25)18-13-21-23(3)15-18)14-22(2)9-6-10-24-12-8-20-16-24/h8,12-13,15-17,19H,4-7,9-11,14H2,1-3H3/t17-,19+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine has a molecular weight of 344.51 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine is sourced from PubChem (CID 128996776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).