N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide

C19H31N5O3 — CID 91915327

IUPACN-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(c2nn(CC(=O)NC)c3c2COCC3)CC1
InChIInChI=1S/C19H31N5O3/c1-4-13(2)21-19(26)23-8-5-14(6-9-23)18-15-12-27-10-7-16(15)24(22-18)11-17(25)20-3/h13-14H,4-12H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyFLEFWHBTXYCMES-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.39
Rot. Bonds5

About N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide

N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 91915327) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID91915327
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(c2nn(CC(=O)NC)c3c2COCC3)CC1
InChIInChI=1S/C19H31N5O3/c1-4-13(2)21-19(26)23-8-5-14(6-9-23)18-15-12-27-10-7-16(15)24(22-18)11-17(25)20-3/h13-14H,4-12H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyFLEFWHBTXYCMES-UHFFFAOYSA-N
XLogP1.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide (CID 91915327) is N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide is CCC(C)NC(=O)N1CCC(c2nn(CC(=O)NC)c3c2COCC3)CC1.
What is the InChIKey of N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is FLEFWHBTXYCMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-4-13(2)21-19(26)23-8-5-14(6-9-23)18-15-12-27-10-7-16(15)24(22-18)11-17(25)20-3/h13-14H,4-12H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide?
N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[1-[2-(methylamino)-2-oxoethyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91915327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).