(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide

C17H26N4O — CID 99775077

IUPAC(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCn1cc(N2CCC[C@H](NC(=O)C3[C@H]4CCCC[C@H]34)C2)cn1
InChIInChI=1S/C17H26N4O/c1-20-11-13(9-18-20)21-8-4-5-12(10-21)19-17(22)16-14-6-2-3-7-15(14)16/h9,11-12,14-16H,2-8,10H2,1H3,(H,19,22)/t12-,14-,15-/m0/s1
InChIKeyFJIJTJQVBQDKTL-QEJZJMRPSA-N
MW302.42 g/mol
LogP1.94
Rot. Bonds3

About (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide

(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 99775077) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID99775077
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCn1cc(N2CCC[C@H](NC(=O)C3[C@H]4CCCC[C@H]34)C2)cn1
InChIInChI=1S/C17H26N4O/c1-20-11-13(9-18-20)21-8-4-5-12(10-21)19-17(22)16-14-6-2-3-7-15(14)16/h9,11-12,14-16H,2-8,10H2,1H3,(H,19,22)/t12-,14-,15-/m0/s1
InChIKeyFJIJTJQVBQDKTL-QEJZJMRPSA-N
XLogP1.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 119889300
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
1-[(1S,2R)-2-methoxycyclohexyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]urea
CID 98773148
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide
CID 124590446
2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800769
1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 124590432

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide (CID 99775077) is (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide is Cn1cc(N2CCC[C@H](NC(=O)C3[C@H]4CCCC[C@H]34)C2)cn1.
What is the InChIKey of (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is FJIJTJQVBQDKTL-QEJZJMRPSA-N. The full InChI is InChI=1S/C17H26N4O/c1-20-11-13(9-18-20)21-8-4-5-12(10-21)19-17(22)16-14-6-2-3-7-15(14)16/h9,11-12,14-16H,2-8,10H2,1H3,(H,19,22)/t12-,14-,15-/m0/s1.
What are the key properties of (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide?
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 99775077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).